Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | TYMS | P04818 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | PLG | P00747 | 1/20 | 0.36 |
| ▸ | PLAU | P00749 | 1/20 | 0.36 |
| ▸ | PLAT | P00750 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.35 |
| ▸ | CASP3 | P42574 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL19798970 | 0.84 | CYP2A6 (0.50) | CYP2A6CYP1A2TSHRALDH1A1KDM4E | |
| SCHEMBL6042452 | 0.82 | TYMS (0.41) | CYP2A6CYP1A2TYMSALDH1A1KDM4E | |
| SCHEMBL6041439 | 0.82 | TYMS (0.41) | CYP2A6CYP1A2TSHRTYMSALDH1A1 | |
| SCHEMBL38662570 | 0.81 | CYP2A6 (0.42) | CYP2A6CYP1A2TYMSALDH1A1KDM4E | |
| SCHEMBL24150000 | 0.78 | KDM4E (0.52) | CYP2A6TYMSALDH1A1KDM4EMEN1 | |
| SCHEMBL8345784 | 0.78 | TYMS (0.39) | CYP2A6CYP1A2TSHRTYMSALDH1A1 | |
| SCHEMBL15412757 | 0.78 | CYP1A2 (0.56) | CYP2A6CYP1A2TSHRALDH1A1KDM4E | |
| SCHEMBL29595200 | 0.77 | CYP2A6 (0.52) | CYP2A6CYP1A2TYMSALDH1A1KDM4E | |
| SCHEMBL1569370 | 0.77 | CYP2A6 (0.52) | CYP2A6CYP1A2TYMSALDH1A1KDM4E | |
| SCHEMBL30518173 | 0.76 | CYP1A2 (0.58) | CYP2A6CYP1A2TSHRTYMSALDH1A1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1142928-C | Synthesis and use of retinoid compounds having negative hormone and/or antagonist activity | �ո��� | 2004-03-24 | — | — | CN | disclosed |
| CN-1121379-C | Synthesis and use of retinoid having negative hormone and/or antagonist activity | ALLERGAN CO (US) | 2003-09-17 | — | — | CN | disclosed |
| CN-1360890-A | Use of active retiene derivative with negative hormone and/or antagonist | ALLERGAN INC (US) | 2002-07-31 | — | — | CN | disclosed |
| CN-1268130-A | Synthesis and use of retinol derivative compounds having negative hormone and/or antagonist activity | ALLERGAN SALES INC (US) | 2000-09-27 | — | — | CN | disclosed |
| EP-0948478-A1 | ARYL OR HETEROARYL SUBSTITUTED 3,4-DIHYDROANTHRACENE AND ARYL OR HETEROARYL SUBSTITUTED BENZO 1,2-g]-CHROM-3-ENE, BENZO 1,2-g]-THIOCHROM-3-ENE AND BENZO 1,2-g]-1,2-DIHYDROQUINOLINE DERIVATIVES HAVING RETINOID ANTAGONIST OR RETINOID INVERSE AGONIST TYPE BIOLOGICAL ACTIVITY | Allergan Sales, Inc. (US) | 1999-10-13 | — | — | EP | disclosed |
| CN-1209802-A | Synthesis and use of retinoid having negative hormone and/or antagonist activity | ALLERGAN CO (US) | 1999-03-03 | — | — | CN | disclosed |
| WO-1998025875-A1 | ARYL OR HETEROARYL SUBSTITUTED 3,4-DIHYDROANTHRACENE AND ARYL OR HETEROARYL SUBSTITUTED BENZO[1,2-g]-CHROM-3-ENE, BENZO[1,2-g]-THIOCHROM-3-ENE AND BENZO[1,2-g]-1,2-DIHYDROQUINOLINE DERIVATIVES HAVING RETINOID ANTAGONIST OR RETINOID INVERSE AGONIST TYPE BIOLOGICAL ACTIVITY | ALLERGAN SALES, INC. (US) | 1998-06-18 | — | — | WO | disclosed |