Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | CHUK | O15111 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 3/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA3 | P07451 | 1/20 | 0.37 |
| ▸ | CA6 | P23280 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.37 |
| ▸ | AR | P10275 | 1/20 | 0.37 |
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.36 |
| ▸ | IMPDH1 | P20839 | 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 | |
|---|---|---|---|---|
| SCHEMBL13074276 | 0.79 | CA2 (0.43) | CYP2A6ALDH1A1CHUKL3MBTL1MEN1 | |
| SCHEMBL806521 | 0.77 | CYP11B1 (0.43) | CYP2A6ALDH1A1CHUKL3MBTL1MEN1 | |
| SCHEMBL30506249 | 0.76 | ALDH1A1 (0.43) | CYP2A6ALDH1A1CHUKL3MBTL1MEN1 | |
| SCHEMBL20116697 | 0.76 | ALDH1A1 (0.43) | CYP2A6ALDH1A1CHUKL3MBTL1MEN1 | |
| SCHEMBL11986226 | 0.74 | GRM2 (0.38) | CYP2A6ALDH1A1KMT2ACA2CA1 | |
| SCHEMBL149913 | 0.73 | MDM4 (0.41) | CYP2A6ALDH1A1CHUKL3MBTL1MEN1 | |
| SCHEMBL29540307 | 0.73 | MDM4 (0.41) | CYP2A6ALDH1A1CHUKL3MBTL1MEN1 | |
| SCHEMBL18934329 | 0.73 | CA1 (0.53) | CYP2A6ALDH1A1MAOBMEN1KMT2A | |
| SCHEMBL18030923 | 0.73 | L3MBTL1 (0.41) | CYP2A6ALDH1A1L3MBTL1MEN1KMT2A | |
| SCHEMBL6363289 | 0.73 | EGFR (0.46) | CYP2A6ALDH1A1L3MBTL1MEN1KMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6358995-B1 | AGONIST FOR RETINOIC ACID RECEPTORS; CAN BE SUBSTITUTED FOR RETINOIC ACID AS PREVENTIVE AND THERAPEUTIC DRUGS FOR VARIOUS DISEASES OR CANCERS, SUCH AS ACUTE PROMYELOCYTIC LEUKEMIA. | EISAI CO., LTD. (JP) | 2002-03-19 | — | — | US | disclosed |
| US-6121309-A | SUCH AS 4-(2-(5-(7-FLUORO-4-TRIFLUOROMETHYLBENZOFURAN-2-YL)PYRROLYL)) BENZOIC ACID; RETINOIC ACID RECEPTOR AGONISM | EISAI CO., LTD. (JP) | 2000-09-19 | — | — | US | disclosed |
| US-6110959-A | A RETINOIC ACID RECEPTOR AGONIST | EISAI CO., LTD. (JP) | 2000-08-29 | — | — | US | disclosed |
| EP-0889032-A1 | FUSED-RING CARBOXYLIC ACID DERIVATIVES | Eisai Co., Ltd. (JP) | 1999-01-07 | — | — | EP | disclosed |