Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 4/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.43 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.35 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.35 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.35 |
| ▸ | FLT1 | P17948 | 1/20 | 0.35 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.35 |
| ▸ | KDR | P35968 | 1/20 | 0.35 |
| ▸ | KDM1A | O60341 | 1/20 | 0.33 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.33 |
| ▸ | RCOR1 | Q9UKL0 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 2/20 | 0.33 |
| ▸ | NCEH1 | Q6PIU2 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6445354 | 0.91 | CYP2C9 (0.50) | CYP2C9CYP3A4CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL6442418 | 0.89 | CYP2C9 (0.51) | CYP2C9CYP3A4CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL6442987 | 0.87 | CYP2C9 (0.49) | CYP2C9CYP3A4CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL6440978 | 0.86 | CYP2C9 (0.54) | CYP2C9CYP3A4CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL6444101 | 0.86 | CYP2C9 (0.56) | CYP2C9CYP3A4CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL6442978 | 0.85 | CYP2C9 (0.51) | CYP2C9CYP3A4CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL6442104 | 0.85 | CYP2C9 (0.53) | CYP2C9CYP3A4CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL6445721 | 0.85 | CYP2C9 (0.45) | CYP2C9CYP3A4CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL6458040 | 0.85 | CYP2C9 (0.49) | CYP2C9CYP3A4CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL6441892 | 0.84 | HTR1A (0.51) | CYP2C9CYP3A4KDM4EHTR1AHTR1B |
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 |
|---|---|---|---|---|---|---|---|
| EP-1299382-B1 | COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED INDOLEOXOACETIC PIPERAZINE DERIVATIVES | BRISTOL MYERS SQUIBB CO (US) | 2005-09-21 | — | — | EP | claimed |