Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 11/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | CYP2B6 | P20813 | 4/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.43 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9958537 | 0.91 | CYP2A6 (0.54) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E | |
| SCHEMBL9958003 | 0.88 | CYP2A6 (0.50) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E | |
| SCHEMBL15511154 | 0.88 | CYP2A6 (0.50) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E | |
| SCHEMBL9958153 | 0.85 | CYP2A6 (0.47) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E | |
| SCHEMBL10965014 | 0.82 | CYP2A6 (0.56) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E | |
| SCHEMBL722168 | 0.79 | ATM (0.54) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E | |
| SCHEMBL9958676 | 0.78 | CYP19A1 (0.50) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E | |
| SCHEMBL28917460 | 0.77 | MKNK1 (0.45) | CYP2A6CYP19A1CYP11B1CYP11B2MKNK1 | |
| SCHEMBL38689 | 0.77 | NOTUM (0.48) | CYP3A4ALDH1A1CYP1A2KDM4EHSD17B10 | |
| SCHEMBL10013004 | 0.76 | HDAC4 (0.35) | — |
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 338 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210292281-A1 | PYRAZOLE AND IMIDAZOLE COMPOUNDS FOR INHIBITION OF IL-17 AND RORGAMMA | REATA PHARMACEUTICALS, INC. (US) | 2021-09-23 | — | — | US | claimed |
| EP-3807265-A1 | PYRAZOLE AND IMIDAZOLE COMPOUNDS FOR INHIBITION OF IL-17 AND RORGAMMA | Reata Pharmaceuticals, Inc. (US) | 2021-04-21 | — | — | EP | claimed |
| CN-108493343-B | Perovskite film, preparation method thereof and application of film in photoelectric device | 清华大学 | 2020-04-24 | — | — | CN | claimed |
| CN-107946484-B | A kind of white light organic electroluminescent device and preparation method thereof | 吉林大学 | 2019-07-26 | — | — | CN | claimed |
| CN-109326736-A | A kind of coplanar electrode type organic electroluminescence device of adjustable color and its application | 吉林大学 | 2019-02-12 | — | — | CN | claimed |
| CN-109134520-A | A kind of hot activation delay material and the organic photoelectric device comprising it | 上海天马有机发光显示技术有限公司 | 2019-01-04 | — | — | CN | claimed |
| CN-107946484-A | A kind of white light organic electroluminescent device and preparation method thereof | 吉林大学 | 2018-04-20 | — | — | CN | claimed |
| CN-106414429-A | Pyrazole compounds and their use as T-type calcium channel blockers | 埃科特莱茵药品有限公司 | 2017-02-15 | — | — | CN | claimed |
| US-20150299163-A1 | COMPOUNDS FOR USE IN THE TREATMENT OF PARASITIC DISEASES | IRBM - SCIENCE PARK S.P.A. (IT) | 2015-10-22 | — | — | US | claimed |
| EP-2914589-A1 | COMPOUNDS FOR USE IN THE TREATMENT OF PARASITIC DISEASES | IRBM - Science Park S.p.A. (IT) | 2015-09-09 | — | — | EP | claimed |
| WO-2003024923-A1 | SULFONAMIDE COMPOUNDS AS PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2003-03-27 | — | — | WO | claimed |
| US-6432993-B1 | BENZIMIDAZOLE OR IMIDAZO(4,5-B)PYRIDINE DERIVATES; IMMUNOMODULATORS; ALDOSE REDUCTASE AND LIPOXYGENASE INHIBITORS; DIABETES; PREVENTS LIPID PEROXIDATION; ANTILIPEMIC, HYPOTENSIVE AGENTS | SANKYO COMPANY, LIMITED (JP) | 2002-08-13 | — | — | US | claimed |
| WO-2002032879-A1 | DIHYDROPYRIMIDINE DERIVATIVES AS CYSTEINE PROTEASE INHIBITORS | NAEJA PHARMACEUTICAL INC. (CA) | 2002-04-25 | — | — | WO | claimed |
| US-6291460-B1 | TREATMENT OF ANXIETY; TREATMENT AND/OR PREVENTION OF CONVULSIONS | MERCK SHARP & DOHME LIMITED (GB) | 2001-09-18 | — | — | US | claimed |
| EP-1056748-A1 | TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LTD. (GB) | 2000-12-06 | — | — | EP | claimed |
| EP-1022272-A1 | SUBSTITUTED FUSED HETEROCYCLIC COMPOUNDS | Sankyo Company Limited (JP) | 2000-07-26 | — | — | EP | claimed |
| WO-1999037647-A1 | TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LIMITED (GB) | 1999-07-29 | — | — | WO | claimed |
| JP-H09502702-A | — | — | 1997-03-18 | — | — | JP | claimed |
| EP-0706514-A1 | COMPOUNDS AND METHODS FOR INHIBITION OF HIV AND RELATED VIRUSES | MEDIVIR AB (SE) | 1996-04-17 | — | — | EP | claimed |
| WO-1995006034-A1 | COMPOUNDS AND METHODS FOR INHIBITION OF HIV AND RELATED VIRUSES | MEDIVIR AB (SE) | 1995-03-02 | — | — | WO | claimed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 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-20150299163-A1 | COMPOUNDS FOR USE IN THE TREATMENT OF PARASITIC DISEASES | HDAC3, HDAC5, HDAC1 | CYP2A6 3823/4885CYP3A4 3531/4885ALDH1A1 1001/4885 |
| US-20210292281-A1 | PYRAZOLE AND IMIDAZOLE COMPOUNDS FOR INHIBITION OF IL-17 AND RORGAMMA | RORC, RORB, RORA | CYP2A6 764/4885CYP3A4 270/4885ALDH1A1 672/4885 |
“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.