Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | NOS3 | P29474 | 2/20 | 0.49 |
| ▸ | NOS2 | P35228 | 1/20 | 0.49 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 3/20 | 0.41 |
| ▸ | PKM | P14618 | 2/20 | 0.38 |
| ▸ | RAD52 | P43351 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.38 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.38 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.38 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.38 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.38 |
| ▸ | RET | P07949 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7509399 | 0.82 | KDM4E (0.60) | KDM4EALDH1A1NOS3NOS2GLA | |
| SCHEMBL29361631 | 0.82 | KDM4E (0.60) | KDM4EALDH1A1NOS3NOS2GLA | |
| Memotine SCHEMBL29388019 | 0.82 | ALDH1A1 (0.47) | KDM4EALDH1A1NOS3NOS2GLA | |
| Memotine SCHEMBL147540 | 0.81 | PKM (0.48) | KDM4EALDH1A1NOS3NOS2GLA | |
| SCHEMBL13869188 | 0.79 | ALDH1A1 (0.60) | KDM4EALDH1A1GLARCE1MAOA | |
| SCHEMBL25413811 | 0.78 | KDM4E (0.43) | KDM4EALDH1A1GLARCE1MAOA | |
| Hydrochloric Acid SCHEMBL330055 | 0.78 | ALDH1A1 (0.62) | KDM4EALDH1A1GLARCE1CYP1A2 | |
| SCHEMBL31107139 | 0.78 | KDM4E (0.43) | KDM4EALDH1A1GLARCE1MAOA | |
| SCHEMBL4778415 | 0.77 | KDM4E (0.55) | KDM4EALDH1A1NOS3NOS2GLA | |
| SCHEMBL9815282 | 0.77 | ALDH1A1 (0.58) | KDM4EALDH1A1NOS3NOS2GLA |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3164388-A1 | HETEROCYCLIC COMPOUNDS AND THEIR USE AS RETINOID-RELATED ORPHAN RECEPTOR (ROR) GAMMA-T INHIBITORS | Takeda Pharmaceutical Company Limited (JP) | 2017-05-10 | — | — | EP | disclosed |
| WO-2016002968-A1 | HETEROCYCLIC COMPOUNDS AND THEIR USE AS RETINOID-RELATED ORPHAN RECEPTOR (ROR) GAMMA-T INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2016-01-07 | — | — | WO | disclosed |
| EP-0822934-B1 | ANTITHROMBOTIC AMIDINOTETRAHYDROPYRIDYLALANINE DERIVATIVES | PFIZER RES & DEV (IE) | 2000-02-09 | — | — | EP | disclosed |
| US-5861393-A | THROMBIN INHIBITORS; VASCULAR, CARDIOVASCULAR, NERVOUS SYSTEM AND BRAIN DISORDERS; ANTIISCHEMIC AND ANTIINFLAMMATORY AGENTS; RESTENOSIS | PFIZER INC. (US) | 1999-01-19 | — | — | US | disclosed |
| US-5798352-A | Antithrombotic amidinotetrahydropyridylalanine derivatives | PFIZER INC. (US) | 1998-08-25 | — | — | US | disclosed |
| US-5750520-A | SELECTIVE THROMBIN INHIBITORS; WOUND HEALING AGENTS | PFIZER INC. (US) | 1998-05-12 | — | — | US | disclosed |
| EP-0822934-A1 | ANTITHROMBOTIC AMIDINOTETRAHYDROPYRIDYLALANINE DERIVATIVES | Pfizer Research and Development Company, N.V./S.A. (IE) | 1998-02-11 | — | — | EP | disclosed |
| EP-0728132-B1 | ANTITHROMBOTIC AMIDINOPHENYLALANINE AND AMIDINOPYRIDYLALANINE DERIVATIVES | PFIZER LTD (GB) | 1997-07-16 | — | — | EP | disclosed |
| WO-1996033993-A1 | ANTITHROMBOTIC AMIDINOTETRAHYDROPYRIDYLALANINE DERIVATIVES | PFIZER RESEARCH AND DEVELOPMENT COMPANY, N.V./S.A. (IE) | 1996-10-31 | — | — | WO | disclosed |
| EP-0728132-A1 | ANTITHROMBOTIC AMIDINOPHENYLALANINE AND AMIDINOPYRIDYLALANINE DERIVATIVES | PFIZER LTD (GB) | 1996-08-28 | — | — | EP | disclosed |
| WO-1995013274-A1 | ANTITHROMBOTIC AMIDINOPHENYLALANINE AND AMIDINOPYRIDYLALANINE DERIVATIVES | PFIZER LIMITED (GB) | 1995-05-18 | — | — | WO | disclosed |