Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.46 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | AGXT | P21549 | 2/20 | 0.41 |
| ▸ | LTA4H | P09960 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | DAO | P14920 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL45443 | 0.92 | — | — | |
| SCHEMBL3130646 | 0.89 | IDO1 (0.50) | IDO1CYP1A2CYP2A6TAAR1TDP1 | |
| SCHEMBL11410252 | 0.86 | IDO1 (0.58) | IDO1SRD5A2CYP1A2CYP2A6TAAR1 | |
| SCHEMBL1149394 | 0.86 | IDO1 (0.58) | IDO1SRD5A2CYP1A2CYP2A6TAAR1 | |
| SCHEMBL11323181 | 0.86 | CYP3A4 (0.47) | TDP1LTA4HTP53ALDH1A1LMNA | |
| SCHEMBL5885169 | 0.86 | CYP3A4 (0.47) | TDP1LTA4HTP53ALDH1A1LMNA | |
| Methoxymethane SCHEMBL27696982 | 0.84 | AGXT (0.46) | IDO1CYP1A2CYP2A6TAAR1TDP1 | |
| Trimethylammonium SCHEMBL9757620 | 0.84 | IDO1 (0.46) | IDO1CYP1A2CYP2A6TAAR1TDP1 | |
| SCHEMBL9023183 | 0.84 | IDO1 (0.46) | IDO1CYP1A2CYP2A6TAAR1TDP1 | |
| SCHEMBL28574743 | 0.82 | RAB9A (0.52) | IDO1TAAR1ACHETP53ALDH1A1 |
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 3 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 |