Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | GLA | P06280 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | AOC2 | O75106 | 1/20 | 0.49 |
| ▸ | MAOA | P21397 | 1/20 | 0.49 |
| ▸ | MAOB | P27338 | 1/20 | 0.49 |
| ▸ | SCN4A | P35499 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | RXRA | P19793 | 1/20 | 0.44 |
| ▸ | RXRB | P28702 | 1/20 | 0.44 |
| ▸ | RXRG | P48443 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7682354 | 0.84 | DRD1 (0.50) | ALDH1A1GLAKDM4ECYP1A2TDP1 | |
| SCHEMBL15579434 | 0.82 | TDP1 (0.53) | ALDH1A1GLAKDM4ECYP1A2AOC2 | |
| SCHEMBL13684688 | 0.82 | HTR1B (0.56) | ALDH1A1KDM4ETDP1ALOX15HPGD | |
| SCHEMBL10915804 | 0.80 | PTPN1 (0.44) | CYP1A2MAOASCN4ACYP2D6TSHR | |
| SCHEMBL19541455 | 0.80 | HTR1B (0.38) | ALDH1A1GLAKDM4ECYP1A2AOC2 | |
| SCHEMBL1592876 | 0.80 | TDP1 (0.60) | ALDH1A1GLAKDM4ECYP1A2SCN4A | |
| SCHEMBL15779795 | 0.79 | ALDH1A1 (0.50) | ALDH1A1KDM4ECYP1A2AOC2MAOA | |
| SCHEMBL9808080 | 0.78 | ALDH1A1 (0.62) | ALDH1A1GLAKDM4ECYP1A2TDP1 | |
| SCHEMBL2090885 | 0.78 | ALDH1A1 (0.53) | ALDH1A1GLAKDM4ECYP1A2SCN4A | |
| SCHEMBL11679951 | 0.78 | CYP2D6 (0.61) | ALDH1A1GLAKDM4ECYP1A2TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017094866-A1 | COMPOSITION FOR DYEING KERATIN FIBERS | L'OREAL (FR) | 2017-06-08 | — | — | WO | disclosed |
| US-9029377-B2 | Platelet-activating factor receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2015-05-12 | — | — | US | disclosed |
| EP-2455431-B1 | Ink and ink set for inkjet recording | FUJIFILM CORP (JP) | 2013-08-21 | — | — | EP | disclosed |
| EP-1957492-B1 | SUBSTITUTED BICYCLIC PYRIMIDONE DERIVATIVES | SANOFI AVENTIS (FR) | 2010-11-10 | — | — | EP | disclosed |