Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRD5A2 | P31213 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.40 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | LTA4H | P09960 | 1/20 | 0.37 |
| ▸ | AGXT | P21549 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL247479 | 0.93 | CYP2A6 (0.46) | CYP2A6ALDH1A1IDO1L3MBTL1MAPT | |
| SCHEMBL8763328 | 0.88 | KMT2A (0.42) | ALDH1A1L3MBTL1MAPTCYP1A2KMT2A | |
| SCHEMBL9925859 | 0.86 | NAAA (0.44) | CYP2A6ALDH1A1IDO1L3MBTL1MAPT | |
| Toluene SCHEMBL15756051 | 0.84 | LMNA (0.48) | CYP2A6ALDH1A1IDO1L3MBTL1MAPT | |
| Toluene SCHEMBL15303842 | 0.84 | LMNA (0.48) | CYP2A6ALDH1A1IDO1L3MBTL1MAPT | |
| Toluene SCHEMBL15756043 | 0.84 | LMNA (0.48) | CYP2A6ALDH1A1IDO1L3MBTL1MAPT | |
| SCHEMBL4193868 | 0.81 | MMP3 (0.43) | CYP2A6ALDH1A1IDO1L3MBTL1MAPT | |
| SCHEMBL8992963 | 0.81 | LTA4H (0.46) | IDO1POLBTAAR1KMT2ALTA4H | |
| SCHEMBL1149394 | 0.80 | IDO1 (0.58) | SRD5A2CYP2A6ALDH1A1IDO1CYP1A2 | |
| SCHEMBL2154504 | 0.80 | KMT2A (0.47) | CYP2A6L3MBTL1MAPTGAACYP1A2 |
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 |