Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | ADH1A | P07327 | 1/20 | 0.31 |
| ▸ | SHBG | P04278 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2301260 | 1.00 | CYP1A2 (0.33) | CYP1A2ADH1ASHBG | |
| SCHEMBL6033218 | 0.98 | CYP1A2 (0.30) | CYP1A2 | |
| SCHEMBL6593055 | 0.93 | — | — | |
| SCHEMBL6591028 | 0.88 | — | — | |
| SCHEMBL6956347 | 0.87 | CYP1A2 (0.40) | CYP1A2 | |
| SCHEMBL2303897 | 0.87 | CYP1A2 (0.40) | CYP1A2 | |
| SCHEMBL441908 | 0.81 | SHBG (0.32) | CYP1A2ADH1ASHBG | |
| SCHEMBL2240665 | 0.78 | — | — | |
| SCHEMBL6591003 | 0.74 | — | — | |
| SCHEMBL962970 | 0.73 | — | — |
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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-4759762-B2 | — | — | 2011-08-31 | — | — | JP | claimed |
| EP-0891331-B1 | N-(2 OXOACETYL OR SULPHONYL)-PYRROLIDINE/PIPERIDINE-2-CARBOXYLIC ACID DERIVATIVES WITH IMPROVED MULTI-DRUG RESISTANCE ACTIVITY | VERTEX PHARMA (US) | 2003-10-01 | — | — | EP | claimed |
| EP-0891331-A1 | N-(2 OXOACETYL OR SULPHONYL)-PYRROLIDINE/PIPERIDINE-2-CARBOXYLIC ACID DERIVATIVES WITH IMPROVED MULTI-DRUG RESISTANCE ACTIVITY | Vertex Pharmaceuticals Incorporated (US) | 1999-01-20 | — | — | EP | claimed |
| US-5717092-A | Compounds with improved multi-drug resistance activity | VERTEX PHARMACEUTICALS INC. (US) | 1998-02-10 | — | — | US | claimed |
| WO-1997036869-A1 | N-(2 OXOACETYL OR SULPHONYL)-PYRROLIDINE/PIPERIDINE-2-CARBOXYLIC ACID DERIVATIVES WITH IMPROVED MULTI-DRUG RESISTANCE ACTIVITY | VERTEX PHARMACEUTICALS INCORPORATED (US) | 1997-10-09 | — | — | WO | claimed |
| US-20240044876-A1 | IDENTIFYING NEW THERAPEUTIC AGENTS | WARP DRIVE BIO, INC. | 2024-02-08 | — | — | US | disclosed |
| US-11644460-B2 | Identifying new therapeutic agents | Revolution Medicines, Inc. (US) | 2023-05-09 | — | — | US | disclosed |
| US-10989710-B2 | Identifying new therapeutic agents | Revolution Medicines, Inc. (US) | 2021-04-27 | — | — | US | disclosed |
| US-20190271691-A1 | IDENTIFYING NEW THERAPEUTIC AGENTS | WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT | 2019-09-05 | — | — | US | disclosed |
| US-10203323-B2 | Identifying new therapeutic agents | WARP DRIVE BIO, INC. (US) | 2019-02-12 | — | — | US | disclosed |
| US-20160341719-A1 | IDENTIFYING NEW THERAPEUTIC AGENTS | WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT | 2016-11-24 | — | — | US | disclosed |
| US-9428845-B1 | Identifying new therapeutic agents | WARP DRIVE BIO, INC. (US) | 2016-08-30 | — | — | US | disclosed |
| US-5935954-A | TREATING THE PATIENT SUFFERING FROM PARKINSON'S DISEASE, ALZHIMER'S DISEASE, STROKE AND ISCHEMIA ASSOCIATED WITH STROKE, NEURAL PAROPATHY, SCIATIC CRUSH, SPINAL CORD INJURY OR FACIAL NERVE CRASH | VERTEX PHARMACEUTICALS INCORPORATED (US) | 1999-08-10 | — | — | US | disclosed |
| EP-0930298-A1 | FLUORINATED 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1999-07-21 | — | — | EP | disclosed |
| EP-0916668-A1 | CHEMOKINE RECEPTOR ANTAGONISTS | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1999-05-19 | — | — | EP | disclosed |
| EP-0891331-A1 | N-(2 OXOACETYL OR SULPHONYL)-PYRROLIDINE/PIPERIDINE-2-CARBOXYLIC ACID DERIVATIVES WITH IMPROVED MULTI-DRUG RESISTANCE ACTIVITY | Vertex Pharmaceuticals Incorporated (US) | 1999-01-20 | — | — | EP | disclosed |
| US-5750540-A | SIDE EFFECT REDUCTION | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1998-05-12 | — | — | US | disclosed |
| EP-0823423-A1 | 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1998-02-11 | — | — | EP | disclosed |
| US-5717092-A | Compounds with improved multi-drug resistance activity | VERTEX PHARMACEUTICALS INC. (US) | 1998-02-10 | — | — | US | disclosed |
| WO-1997036869-A1 | N-(2 OXOACETYL OR SULPHONYL)-PYRROLIDINE/PIPERIDINE-2-CARBOXYLIC ACID DERIVATIVES WITH IMPROVED MULTI-DRUG RESISTANCE ACTIVITY | VERTEX PHARMACEUTICALS INCORPORATED (US) | 1997-10-09 | — | — | WO | disclosed |