Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | NCEH1 | Q6PIU2 | 3/20 | 0.43 |
| ▸ | AR | P10275 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | MMP3 | P08254 | 1/20 | 0.38 |
| ▸ | PDE4A | P27815 | 1/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.38 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.38 |
| ▸ | P4HB | P07237 | 1/20 | 0.38 |
| ▸ | PDE5A | O76074 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7725096 | 0.85 | AR (0.41) | NCEH1ARALDH1A1CA1CA2 | |
| SCHEMBL7344856 | 0.78 | AR (0.45) | NCEH1ARCA1CA2MCL1 | |
| SCHEMBL20855586 | 0.76 | AR (0.50) | CA9ARALDH1A1GAAPDE4A | |
| SCHEMBL30468153 | 0.76 | AR (0.50) | CA9ARALDH1A1GAAPDE4A | |
| SCHEMBL7723749 | 0.76 | AR (0.50) | NCEH1ARALDH1A1CA1CA2 | |
| SCHEMBL7337530 | 0.76 | AR (0.46) | NCEH1ARCA1CA2MAPT | |
| SCHEMBL7335259 | 0.76 | NCEH1 (0.43) | NCEH1ARALDH1A1GAAPDE4A | |
| SCHEMBL7344835 | 0.76 | AR (0.36) | NCEH1ARPDE4APDE4BPDE4C | |
| SCHEMBL7344831 | 0.76 | AR (0.36) | NCEH1ARPDE4APDE4BPDE4C | |
| Acetone SCHEMBL28054480 | 0.76 | AR (0.57) | CA9ARALDH1A1CA1CA2 |
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 |