Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1B1 | Q16678 | 9/20 | 0.51 |
| ▸ | CYP1A1 | P04798 | 8/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 7/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.51 |
| ▸ | HPGD | P15428 | 4/20 | 0.51 |
| ▸ | MAPT | P10636 | 4/20 | 0.51 |
| ▸ | HTT | P42858 | 4/20 | 0.51 |
| ▸ | PRKDC | P78527 | 3/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.51 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.51 |
| ▸ | PDE5A | O76074 | 1/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL2425083 | 0.79 | TNKS (0.45) | CYP1B1KDM4EALDH1A1HPGDMAPT | |
| SCHEMBL6508987 | 0.77 | PTGES (0.44) | CYP1A2KDM4EALDH1A1HPGDMAPT | |
| SCHEMBL13435569 | 0.70 | CYP1A1 (0.62) | CYP1B1CYP1A1CYP1A2KDM4EALDH1A1 | |
| SCHEMBL3607241 | 0.70 | PRKDC (0.64) | CYP1B1CYP1A1CYP1A2KDM4EALDH1A1 | |
| SCHEMBL2424371 | 0.69 | CSNK2A2 (0.38) | HPGDHSD17B10ALOX15POLBCSNK2A2 | |
| SCHEMBL2430119 | 0.69 | ALDH1A1 (0.49) | KDM4EALDH1A1HPGDMAPTHTT | |
| Alpha-Naphthoflavone SCHEMBL29351090 | 0.68 | CYP1A1 (1.00) | CYP1B1CYP1A1CYP1A2KDM4EALDH1A1 | |
| Alpha-Naphthoflavone SCHEMBL121594 | 0.68 | CYP1A1 (1.00) | CYP1B1CYP1A1CYP1A2KDM4EALDH1A1 | |
| SCHEMBL12325500 | 0.68 | KDM4E (0.63) | CYP1B1CYP1A1CYP1A2KDM4EALDH1A1 | |
| SCHEMBL29689973 | 0.67 | KDM4E (1.00) | CYP1B1CYP1A1CYP1A2KDM4EALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2368895-A1 | Ferrocenyl flavonoids | Centre National de la Recherche Scientifique (CNRS) (FR) | 2011-09-28 | — | — | EP | disclosed |
| WO-2011107572-A1 | FERROCENYL FLAVONOIDS | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) | 2011-09-09 | — | — | WO | disclosed |