Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Alpha-Naphthoflavone. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 14/20 | 0.84 |
| ▸ | CYP1B1 | Q16678 | 14/20 | 0.84 |
| ▸ | CYP1A2 | P05177 | 13/20 | 0.84 |
| ▸ | PRKDC | P78527 | 4/20 | 0.84 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.84 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.84 |
| ▸ | ABCC1 | P33527 | 2/20 | 0.84 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.84 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.84 |
| ▸ | PDE5A | O76074 | 1/20 | 0.84 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.84 |
| ▸ | TP53 | P04637 | 1/20 | 0.84 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.84 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.84 |
| ▸ | MAPT | P10636 | 1/20 | 0.84 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.84 |
| ▸ | HPGD | P15428 | 1/20 | 0.84 |
| ▸ | TSHR | P16473 | 1/20 | 0.84 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.84 |
| ▸ | TACR2 | P21452 | 1/20 | 0.84 |
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 | |
|---|---|---|---|---|
| Alpha-Naphthoflavone SCHEMBL29351090 | 0.92 | CYP1A1 (1.00) | CYP1A1CYP1B1CYP1A2PRKDCCYP19A1 | |
| Alpha-Naphthoflavone SCHEMBL121594 | 0.92 | CYP1A1 (1.00) | CYP1A1CYP1B1CYP1A2PRKDCCYP19A1 | |
| SCHEMBL20594586 | 0.83 | CYP1A1 (0.78) | CYP1A1CYP1B1CYP1A2PRKDCCYP19A1 | |
| SCHEMBL29407618 | 0.83 | CYP1A1 (0.78) | CYP1A1CYP1B1CYP1A2PRKDCCYP19A1 | |
| Alpha-Naphthoflavone SCHEMBL3665037 | 0.83 | CYP1A1 (0.82) | CYP1A1CYP1B1CYP1A2PRKDCCYP19A1 | |
| Alpha-Naphthoflavone SCHEMBL1906540 | 0.82 | CYP1A1 (0.80) | CYP1A1CYP1B1CYP1A2PRKDCCYP19A1 | |
| SCHEMBL30917246 | 0.81 | CYP1A1 (1.00) | CYP1A1CYP1B1CYP1A2PRKDCCYP19A1 | |
| SCHEMBL31061133 | 0.81 | PRKDC (1.00) | CYP1A1CYP1B1CYP1A2PRKDCCYP19A1 | |
| SCHEMBL4069839 | 0.81 | CYP1A1 (1.00) | CYP1A1CYP1B1CYP1A2PRKDCCYP19A1 | |
| SCHEMBL4650874 | 0.80 | CYP1A1 (1.00) | CYP1A1CYP1B1CYP1A2PRKDCCYP19A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015180424-A1 | WATER-SOLUBLE α-NAPHTHOFLAVONE ALCOHOL DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF | 上海交通大学 | 2015-12-03 | — | — | WO | disclosed |