Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 3/20 | 0.48 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.45 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | AGXT | P21549 | 2/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | DAO | P14920 | 2/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | HRH1 | P35367 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL120896 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL11121998 | 0.88 | IDO1 (0.52) | IDO1TAAR1LMNACYP2A6AGXT | |
| Phosphine SCHEMBL4870393 | 0.88 | IDO1 (0.52) | IDO1TAAR1LMNACYP2A6AGXT | |
| SCHEMBL3986244 | 0.88 | IDO1 (0.52) | IDO1TAAR1LMNACYP2A6AGXT | |
| Methane SCHEMBL28356057 | 0.88 | IDO1 (0.52) | IDO1TAAR1LMNACYP2A6AGXT | |
| SCHEMBL4989141 | 0.88 | IDO1 (0.52) | IDO1TAAR1LMNACYP2A6AGXT | |
| SCHEMBL5885169 | 0.88 | CYP3A4 (0.47) | LMNAKMT2AALDH1A1CA1CA2 | |
| SCHEMBL1106684 | 0.88 | IDO1 (0.58) | IDO1HSP90AB1TAAR1LMNACYP2A6 | |
| SCHEMBL11323181 | 0.88 | CYP3A4 (0.47) | LMNAKMT2AALDH1A1CA1CA2 | |
| SCHEMBL2069301 | 0.83 | MAOB (0.54) | IDO1TAAR1LMNACYP2A6AGXT |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5516777-A | PROSTATE CANCER THERAPY | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1996-05-14 | — | — | US | disclosed |
| US-5409928-A | Prostate diseases, alopecia | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1995-04-25 | — | — | US | disclosed |
| EP-0594149-A2 | Condensed pyrazole derivatives, method of manufacturing the same, and androgen inhibitor | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1994-04-27 | — | — | EP | disclosed |
| US-4874763-A | ANTIARRHYTHMIA AGENTS | ROEHM GMBH CHEMISCHE FABRIK (DE) | 1989-10-17 | — | — | US | disclosed |
| EP-0318795-A2 | Pharmaceutically active pteridin derivatives | Röhm GmbH (DE) | 1989-06-07 | — | — | EP | disclosed |