Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.61 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.61 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | GPR3 | P46089 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.47 |
| ▸ | HTR2A | P28223 | 3/20 | 0.46 |
| ▸ | HTR2C | P28335 | 3/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | EGFR | P00533 | 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 | |
|---|---|---|---|---|
| SCHEMBL12323808 | 0.78 | SERPINE1 (0.65) | ALDH1A1MEN1KMT2AKDM4EMAPT | |
| SCHEMBL18787054 | 0.77 | ESR1 (0.87) | ESR1ESR2CYP19A1ALDH1A1MEN1 | |
| SCHEMBL29965835 | 0.76 | ESR1 (0.44) | ESR1ESR2CYP19A1ALDH1A1MEN1 | |
| SCHEMBL2224694 | 0.76 | ESR1 (0.44) | ESR1ESR2CYP19A1ALDH1A1MEN1 | |
| SCHEMBL29799621 | 0.76 | ESR1 (1.00) | ESR1ESR2CYP19A1ALDH1A1KDM4E | |
| SCHEMBL27293850 | 0.76 | ESR1 (0.63) | ESR1ESR2CYP19A1ALDH1A1MEN1 | |
| SCHEMBL3929385 | 0.76 | ESR1 (0.63) | ESR1ESR2CYP19A1ALDH1A1MEN1 | |
| SCHEMBL3864662 | 0.76 | ESR1 (1.00) | ESR1ESR2CYP19A1ALDH1A1KDM4E | |
| Hydrochloric Acid SCHEMBL14576584 | 0.75 | ESR1 (0.43) | ESR1ESR2CYP19A1ALDH1A1MEN1 | |
| Hydrochloric Acid SCHEMBL4557118 | 0.75 | ESR1 (0.43) | ESR1ESR2CYP19A1ALDH1A1MEN1 |
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 78 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3122345-B1 | TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF | MERCK SHARP & DOHME (US) | 2020-12-16 | — | — | EP | disclosed |
| CN-108136066-A | Use the method for glycolysis dependence compound treatment disease | 伊西康公司 | 2018-06-08 | — | — | CN | disclosed |
| CN-107531652-A | Aromatic diamine, intermediate thereof, and processes for producing these | 精化株式会社 | 2018-01-02 | — | — | CN | disclosed |
| WO-2017163263-A1 | INDOLE DERIVATIVES, PREPARATION AND USE THEREOF | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2017-09-28 | — | — | WO | disclosed |
| WO-2017163263-A1 | INDOLE DERIVATIVES, PREPARATION AND USE THEREOF | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2017-09-28 | — | — | WO | disclosed |
| US-20170114056-A1 | TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF | MERCK SHARP & DOHME CORP. (US) | 2017-04-27 | — | — | US | disclosed |
| WO-2015148373-A2 | TrkA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF | MERCK SHARP & DOHME CORP. (US) | 2015-10-01 | — | — | WO | disclosed |
| US-20120009142-A1 | METHODS FOR TREATING HEPATITIS C | PTC THERAPEUTICS, INC. (US) | 2012-01-12 | — | — | US | disclosed |
| US-20110268698-A1 | METHODS FOR TREATING HEPATITIS C | PTC THERAPEUTICS, INC. (US) | 2011-11-03 | — | — | US | disclosed |
| US-8013006-B2 | Methods for treating hepatitis C | PTC THERAPEUTICS, INC. (US) | 2011-09-06 | — | — | US | disclosed |
| US-20050228007-A1 | Isoquinoline derivatives and methods of use thereof | INOTEK PHARMACEUTICALS CORPORATION | 2005-10-13 | — | — | US | disclosed |
| WO-2005082368-A1 | ISOQUINOLINE DERIVATIVES AND METHODS OF USE THEREOF | INOTEK PHARMACEUTICALS CORPORATION (US) | 2005-09-09 | — | — | WO | disclosed |
| WO-2005082368-A1 | ISOQUINOLINE DERIVATIVES AND METHODS OF USE THEREOF | INOTEK PHARMACEUTICALS CORPORATION (US) | 2005-09-09 | — | — | WO | disclosed |
| US-20050049270-A1 | Isoquinoline derivatives and methods of use thereof | JAGTAP PRAKASH (US) | 2005-03-03 | — | — | US | disclosed |
| WO-2004078712-A2 | ISOQUINOLINE DERIVATIVES AND METHODS OF USE THEREOF | INOTEK PHARMACEUTICALS CORPORATION (US) | 2004-09-16 | — | — | WO | disclosed |
| WO-2004078712-A2 | ISOQUINOLINE DERIVATIVES AND METHODS OF USE THEREOF | INOTEK PHARMACEUTICALS CORPORATION (US) | 2004-09-16 | — | — | WO | disclosed |
| US-20040039009-A1 | Isoquinoline derivatives and methods of use thereof | INOTEK PHARMACEUTICALS CORPORATION | 2004-02-26 | — | — | US | disclosed |
| EP-1303508-A1 | SUBSTITUTED 1-(4-AMINOPHENYL)INDOLES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS | Boehringer Ingelheim Pharmaceuticals, Inc. (US) | 2003-04-23 | — | — | EP | disclosed |
| US-6353007-B1 | ANTIINFLAMMATORY AGENTS AND INHIBITORS OF CELLULAR POLIFERATION | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. | 2002-03-05 | — | — | US | disclosed |
| WO-2002006273-A1 | SUBSTITUTED 1-(4-AMINOPHENYL)INDOLES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2002-01-24 | — | — | 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-20050228007-A1 | Isoquinoline derivatives and methods of use thereof | GLS, PINK1, PARK7 | ESR1 4764/4885ESR2 3894/4885CYP19A1 3062/4885 |
| US-20110268698-A1 | METHODS FOR TREATING HEPATITIS C | HAVCR2, LIPC, HCCS | ESR1 2188/4885ESR2 2148/4885CYP19A1 2583/4885 |
| US-20120009142-A1 | METHODS FOR TREATING HEPATITIS C | OAT, HAVCR2, HCCS | ESR1 4618/4885ESR2 3592/4885CYP19A1 3749/4885 |
| US-20040039009-A1 | Isoquinoline derivatives and methods of use thereof | CYP3A7, CYP3A5, ABCG2 | ESR1 4254/4885ESR2 3566/4885CYP19A1 419/4885 |
| US-20170114056-A1 | TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF | NGFR, NGF, NTRK2 | ESR1 3227/4885ESR2 2020/4885CYP19A1 2329/4885 |
| US-20050049270-A1 | Isoquinoline derivatives and methods of use thereof | CYP3A7, CYP3A5, ABCG2 | ESR1 4254/4885ESR2 3566/4885CYP19A1 419/4885 |
“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.