Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.56 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | PIK3CA | P42336 | 3/20 | 0.50 |
| ▸ | PI4KA | P42356 | 3/20 | 0.50 |
| ▸ | PI4KB | Q9UBF8 | 3/20 | 0.50 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.50 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.50 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 3/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | AXL | P30530 | 1/20 | 0.49 |
| ▸ | GFER | P55789 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL11098027 | 0.88 | CYP3A4 (0.65) | CYP3A4CYP1A2KCNH2CYP2C9GAA | |
| SCHEMBL9722700 | 0.85 | CYP3A4 (0.62) | CYP3A4CYP1A2KCNH2CYP2C9GAA | |
| SCHEMBL1787315 | 0.82 | CYP3A4 (0.59) | CYP3A4CYP1A2KCNH2CYP2C9GAA | |
| SCHEMBL2488566 | 0.81 | CYP3A4 (0.65) | CYP3A4CYP1A2KCNH2CYP2C9GAA | |
| SCHEMBL11700293 | 0.81 | CYP2C9 (0.62) | CYP3A4CYP1A2KCNH2CYP2C9GAA | |
| SCHEMBL5533752 | 0.80 | KCNH2 (0.70) | CYP3A4CYP1A2KCNH2CYP2C9GAA | |
| SCHEMBL11007454 | 0.79 | CYP3A4 (0.59) | CYP3A4CYP1A2KCNH2CYP2C9GAA | |
| SCHEMBL11838184 | 0.79 | CYP3A4 (0.55) | CYP3A4CYP1A2KCNH2CYP2C9GAA | |
| SCHEMBL10873404 | 0.78 | KCNH2 (0.67) | CYP3A4CYP1A2KCNH2CYP2C9GAA | |
| SCHEMBL21091136 | 0.76 | NSD1 (0.54) | CYP3A4CYP1A2KCNH2CYP2C9GAA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5120872-A | Textile dyeing | CIBA-GEIGY CORPORATION (US) | 1992-06-09 | — | — | US | disclosed |
| US-4994563-A | Dyeing, printing cellulose, silk, wool, synthetic polyamides; colorfastness | CIBA-GEIGY CORPORATION (US) | 1991-02-19 | — | — | US | disclosed |
| EP-0349486-A2 | Azo dyes, their preparation and their use | CIBA-GEIGY AG (CH) | 1990-01-03 | — | — | EP | disclosed |