Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 4/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | AXL | P30530 | 1/20 | 0.45 |
| ▸ | GFER | P55789 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | SCN4A | P35499 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.42 |
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 | 0.84 | CYP3A4 (0.65) | CYP2C9CYP3A4CYP1A2KCNH2RAB9A | |
| SCHEMBL9722735 | 0.81 | CYP3A4 (0.62) | CYP2C9CYP3A4CYP1A2KCNH2RAB9A | |
| SCHEMBL9722700 | 0.81 | CYP3A4 (0.62) | CYP2C9CYP3A4CYP1A2KCNH2RAB9A | |
| SCHEMBL1787315 | 0.79 | CYP3A4 (0.59) | CYP2C9CYP3A4CYP1A2KCNH2RAB9A | |
| SCHEMBL2488566 | 0.78 | CYP3A4 (0.65) | CYP2C9CYP3A4CYP1A2KCNH2RAB9A | |
| SCHEMBL614629 | 0.78 | KCNH2 (0.59) | CYP2C9CYP3A4CYP1A2KCNH2RAB9A | |
| SCHEMBL5533752 | 0.77 | KCNH2 (0.70) | CYP2C9CYP3A4CYP1A2KCNH2RAB9A | |
| SCHEMBL11838184 | 0.76 | CYP3A4 (0.55) | CYP2C9CYP3A4CYP1A2KCNH2RAB9A | |
| SCHEMBL10873404 | 0.74 | KCNH2 (0.67) | CYP2C9CYP3A4CYP1A2KCNH2RAB9A | |
| SCHEMBL11007454 | 0.73 | CYP3A4 (0.59) | CYP2C9CYP3A4CYP1A2KCNH2RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| US-4006127-A | Cationic diazacyanine dyestuffs | BAYER AKTIENGESELLSCHAFT (DT) | 1977-02-01 | — | — | US | disclosed |