Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.68 |
| ▸ | TSHR | P16473 | 1/20 | 0.68 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | APEX1 | P27695 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | BLM | P54132 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | RECQL | P46063 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CES2 | O00748 | 2/20 | 0.46 |
| ▸ | CES1 | P23141 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.46 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.46 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL72171 | 1.00 | TP53 (0.68) | TP53TSHRTDP1ALDH1A1SMN1; SMN2 | |
| SCHEMBL938198 | 1.00 | TP53 (0.68) | TP53TSHRTDP1ALDH1A1SMN1; SMN2 | |
| SCHEMBL57818 | 1.00 | TP53 (0.68) | TP53TSHRTDP1ALDH1A1SMN1; SMN2 | |
| SCHEMBL29777001 | 1.00 | TP53 (0.68) | TP53TSHRTDP1ALDH1A1SMN1; SMN2 | |
| SCHEMBL6532887 | 1.00 | TP53 (0.68) | TP53TSHRTDP1ALDH1A1SMN1; SMN2 | |
| SCHEMBL6309997 | 1.00 | TP53 (0.68) | TP53TSHRTDP1ALDH1A1SMN1; SMN2 | |
| SCHEMBL72682 | 1.00 | TP53 (0.68) | TP53TSHRTDP1ALDH1A1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL19279013 | 0.98 | TP53 (0.66) | TP53TSHRTDP1ALDH1A1SMN1; SMN2 | |
| Water SCHEMBL1322822 | 0.98 | TP53 (0.66) | TP53TSHRTDP1ALDH1A1SMN1; SMN2 | |
| Water SCHEMBL743190 | 0.98 | TP53 (0.66) | TP53TSHRTDP1ALDH1A1SMN1; SMN2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023239906-A2 | SIALIC ACID DERIVATIVES AND METHODS OF USING SAME | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2023-12-14 | — | — | WO | disclosed |
| US-20210101897-A1 | PROCESS FOR THE SYNTHESIS OF 2-[(2S)-1-AZABICYCLO[2.2.2]OCT-2-YL]-6-(3-METHYL-1H-PYRAZOL-4-YL)THIENO[3,2-d]PYRIMIDIN-4(3H)-ONE | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2021-04-08 | — | — | US | disclosed |
| EP-3219702-A1 | METHOD FOR RESOLUTION OF CITALOPRAM INTERMEDIATE 5-CYANOGEN DIOL | Zhejiang Huahai Pharmaceutical Co., Ltd. (CN) | 2017-09-20 | — | — | EP | disclosed |
| WO-2017091453-A1 | NOVEL PROCESSES FOR MAKING SUBSTITUTED QUINAZOLINE COMPOUNDS USING HYDROGEN BONDING CATALYSTS | MERCK SHARP & DOHME CORP. (US) | 2017-06-01 | — | — | WO | disclosed |
| WO-2012038411-A1 | PROCESS FOR PREPARING PAN-CDK INHIBITORS OF THE FORMULA (I), AND INTERMEDIATES IN THE PREPARATION | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2012-03-29 | — | — | WO | disclosed |
| US-20120041225-A1 | KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF | VAIDYA NITEEN A (US) | 2012-02-16 | — | — | US | disclosed |
| US-7872025-B2 | Optically active isomers of ketotifen and therapeutically active metabolites thereof | BRIDGE PHARMA, INC. (US) | 2011-01-18 | — | — | US | disclosed |
| US-7557128-B2 | Optically active isomers of ketotifen and therapeutically active metabolites thereof | BRIDGE PHARMA, INC. (US) | 2009-07-07 | — | — | US | disclosed |
| US-20090149502-A1 | Optically active isomers of ketotifen and therapeutically active metabolites thereof | ABERG A K GUNNAR | 2009-06-11 | — | — | US | disclosed |
| US-20080287498-A1 | Having antiallergic and anti-inflammatory effects while being devoid of the severe dose-limiting sedative side effects of ketotifen | ABERG A K GUNNAR | 2008-11-20 | — | — | US | disclosed |
| US-20070105837-A1 | Novel derivatives of 4a,5,9,10,11,12-hexahydrobenzofuro[3a,3,2][2]-benzazepine, method for the production thereof and use thereof in the production of medicaments | SANOCHEMIA PHARMAZEUTIKA AG (AT) | 2007-05-10 | — | — | US | disclosed |
| US-20070105837-A1 | Novel derivatives of 4a,5,9,10,11,12-hexahydrobenzofuro[3a,3,2][2]-benzazepine, method for the production thereof and use thereof in the production of medicaments | SANOCHEMIA PHARMAZEUTIKA AG (AT) | 2007-05-10 | — | — | US | disclosed |
| US-7141560-B2 | Alanine 2,6-dialkoxyphenyl ester derivatives as hypnotics | AKZO NOBEL N.V. (NL) | 2006-11-28 | — | — | US | disclosed |
| EP-1373188-B1 | ALANINE 2,6-DIALKOXYPHENYL ESTER DERIVATIVES AS HYPNOTICS | AKZO NOBEL NV (NL) | 2006-06-07 | — | — | EP | disclosed |
| WO-2006046252-A2 | NOVEL DIASTERIOMERIC SALTS OF ATENOLOL AND THEIR USE IN THE PRODUCTION OF OPTICALLY ACTIVE ATENOLOL | IPCA LABORATORIES LIMITED (IN) | 2006-05-04 | — | — | WO | disclosed |
| US-20040059109-A1 | Alanine 2, 6-dialkoxyphenyl ester derivatives as hypnotics | N.V. ORGANON (NL) | 2004-03-25 | — | — | US | disclosed |
| EP-1373188-A1 | ALANINE 2,6-DIALKOXYPHENYL ESTER DERIVATIVES AS HYPNOTICS | Akzo Nobel N.V. (NL) | 2004-01-02 | — | — | EP | disclosed |
| WO-2002057218-A1 | ALANINE 2,6-DIALKOXYPHENYL ESTER DERIVATIVES AS HYPNOTICS | AKZO NOBEL N.V. (NL) | 2002-07-25 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20080287498-A1 | Having antiallergic and anti-inflammatory effects while being devoid of the severe dose-limiting sedative side effects of ketotifen | OPRK1, HRH2, HRH1 | TP53 4871/4885TSHR 3378/4885TDP1 4545/4885 |
| US-20090149502-A1 | Optically active isomers of ketotifen and therapeutically active metabolites thereof | OPRK1, HRH1, HRH2 | TP53 4862/4885TSHR 3518/4885TDP1 4783/4885 |
| US-20070105837-A1 | Novel derivatives of 4a,5,9,10,11,12-hexahydrobenzofuro[3a,3,2][2]-benzazepine, method for the production thereof and use thereof in the production of medicaments | CYP4B1, CYP4Z1, HTR3C | TP53 4882/4885TSHR 2491/4885TDP1 3486/4885 |
| US-20120041225-A1 | KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF | ACKR3, KIT, C3AR1 | TP53 4311/4885TSHR 3712/4885TDP1 2863/4885 |
| US-20210101897-A1 | PROCESS FOR THE SYNTHESIS OF 2-[(2S)-1-AZABICYCLO[2.2.2]OCT-2-YL]-6-(3-METHYL-1H-PYRAZOL-4-YL)THIENO[3,2-d]PYRIMIDIN-4(3H)-ONE | CDC7, CDK7, CDCA2 | TP53 344/4885TSHR 3191/4885TDP1 359/4885 |
| US-20040059109-A1 | Alanine 2, 6-dialkoxyphenyl ester derivatives as hypnotics | OPRM1, OPRD1, OPRK1 | TP53 4879/4885TSHR 668/4885TDP1 2475/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.