Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.55 |
| ▸ | TSHR | P16473 | 3/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.55 |
| ▸ | RECQL | P46063 | 1/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | CES2 | O00748 | 1/20 | 0.45 |
| ▸ | CES1 | P23141 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.45 |
| ▸ | MEN1 | O00255 | 4/20 | 0.45 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL31129888 | 0.86 | ALDH1A1 (0.51) | ALDH1A1TSHRCYP3A4RECQLHSD17B10 | |
| SCHEMBL11441783 | 0.86 | ALDH1A1 (0.51) | ALDH1A1TSHRCYP3A4RECQLHSD17B10 | |
| SCHEMBL508871 | 0.85 | MAPT (0.51) | ALDH1A1TSHRCYP3A4RECQLHSD17B10 | |
| SCHEMBL17704660 | 0.85 | ALDH1A1 (0.58) | ALDH1A1TSHRCYP3A4RECQLHSD17B10 | |
| SCHEMBL8295810 | 0.83 | ALDH1A1 (0.56) | ALDH1A1TSHRCYP3A4RECQLHSD17B10 | |
| SCHEMBL1117240 | 0.82 | TSHR (0.50) | ALDH1A1TSHRCYP3A4MAPTHTT | |
| SCHEMBL5913394 | 0.82 | ALDH1A1 (0.51) | ALDH1A1TSHRCYP3A4RECQLHSD17B10 | |
| SCHEMBL715634 | 0.81 | ALDH1A1 (0.57) | ALDH1A1TSHRCYP3A4RECQLHSD17B10 | |
| SCHEMBL20707091 | 0.81 | ALDH1A1 (0.55) | ALDH1A1TSHRCYP3A4RECQLHSD17B10 | |
| SCHEMBL10662515 | 0.81 | ALDH1A1 (0.55) | ALDH1A1TSHRCYP3A4RECQLHSD17B10 |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110891951-A | Compound (I) | 谢菲尔德大学 | 2020-03-17 | — | — | CN | disclosed |
| US-9132130-B2 | Purine derivative and antitumor agent using same | ZENYAKU KOGYO KABUSHIKI KAISHA (JP) | 2015-09-15 | — | — | US | disclosed |
| EP-2586778-A2 | Pyridazinone derivatives useful as glucan synthase inhibitors | Merck Sharp & Dohme Corp. (US) | 2013-05-01 | — | — | EP | disclosed |
| US-20120088765-A1 | PURINE DERIVATIVE AND ANTITUMOR AGENT USING SAME | ZENYAKU KOGYO KABUSHIKIKAISHA (JP) | 2012-04-12 | — | — | US | disclosed |
| CN-100584823-C | Malononitrile compounds and their use as pesticides | SUMITOMO CHEMICAL CO | 2010-01-27 | — | — | CN | disclosed |
| EP-1385817-B1 | MALONONITRILE COMPOUNDS AND THEIR USE AS PESTICIDES | SUMITOMO CHEMICAL CO (JP) | 2008-12-03 | — | — | EP | disclosed |
| US-7402691-B2 | Malononitrile compounds and their use as pesticides | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2008-07-22 | — | — | US | disclosed |
| CN-100376549-C | Malononitrile compounds and their use as pesticides | SUMITOMO CHEMICAL CO (JP) | 2008-03-26 | — | — | CN | disclosed |
| EP-0887346-B1 | N-Phenyl-alkylsulfonamide derivatives, their preparation and their use as alpha1A/1L adrenoceptor agonists | HOFFMANN LA ROCHE (CH) | 2007-12-12 | — | — | EP | disclosed |
| CN-101033200-A | Malononitrile compounds and their use as pesticides | SUMITOMO CHEMICAL CO (JP) | 2007-09-12 | — | — | CN | disclosed |
| US-7011838-B2 | Malononitrile compounds and their use as pesticides | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2006-03-14 | — | — | US | disclosed |
| US-20050209323-A1 | Malononitrile compounds and their use as pesticides | OTAKA KEN | 2005-09-22 | — | — | US | disclosed |
| CN-1639114-A | Malononitrile compounds and their use as pesticides | SUMITOMO CHEMICAL CO (JP) | 2005-07-13 | — | — | CN | disclosed |
| US-20040138065-A1 | Malononitrile compounds and their use as pesticides | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2004-07-15 | — | — | US | disclosed |
| EP-1385817-A2 | MALONONITRILE COMPOUNDS AND THEIR USE AS PESTICIDES | SUMITOMO CHEMICAL COMPANY LIMITED (JP) | 2004-02-04 | — | — | EP | disclosed |
| WO-2002090320-A2 | MALONONITRILE COMPOUNDS AND THEIR USE AS PESTICIDES | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2002-11-14 | — | — | WO | disclosed |
| US-6057349-A | ALPHA.SUB.1A/1L AGONISTS USED IN THE TREATMENT OF VARIOUS DISEASE STATES SUCH AS URINARY INCONTINENCE, NASAL CONGESTION, PRIAPISM, DEPRESSION, ANXIETY, DEMENTIA, SENILITY, ALZHEIMER'S, DEFICIENCIES IN ATTENTIVENESS AND COGNITION, AND | F. HOFFMAN LA ROCHE AG (CH) | 2000-05-02 | — | — | US | disclosed |
| US-5952362-A | INHIBITOR OF GLYCOGEN PHOSPHORYLASE ENZYMETIC ACTIVITY AND GLUCOSE ACITIVITY | SYNTEX (U.S.A) INC. (US) | 1999-09-14 | — | — | US | disclosed |
| EP-0887346-A2 | Phenyl-and aminophenyl-alkylsulfonamide and urea derivatives, their preparation and their use as alpha1A/1L adrenoceptor agonists | F. HOFFMANN-LA ROCHE AG (CH) | 1998-12-30 | — | — | EP | 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 (3 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-20050209323-A1 | Malononitrile compounds and their use as pesticides | C1S, C1R, C5 | ALDH1A1 1502/4885TSHR 2542/4885CYP3A4 304/4885 |
| US-20040138065-A1 | Malononitrile compounds and their use as pesticides | CBR1, MAL2, CBR3 | ALDH1A1 614/4885TSHR 3805/4885CYP3A4 343/4885 |
| US-20120088765-A1 | PURINE DERIVATIVE AND ANTITUMOR AGENT USING SAME | PNP, TYMP, DPYD | ALDH1A1 336/4885TSHR 4602/4885CYP3A4 1762/4885 |
“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.