Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.41 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6442987 | 0.89 | CYP2C9 (0.49) | ALDH1A1CYP2C9CYP3A4CYP2D6CYP1A2 | |
| SCHEMBL6445354 | 0.86 | CYP2C9 (0.50) | ALDH1A1CYP2C9CYP3A4CYP2D6CYP1A2 | |
| SCHEMBL6441328 | 0.86 | CYP2C9 (0.46) | ALDH1A1CYP2C9CYP3A4HSD17B10CYP2D6 | |
| SCHEMBL6442104 | 0.84 | CYP2C9 (0.53) | ALDH1A1CYP2C9CYP3A4CYP2D6CYP1A2 | |
| SCHEMBL6440978 | 0.83 | CYP2C9 (0.54) | ALDH1A1CYP2C9CYP3A4CYP2D6CYP1A2 | |
| SCHEMBL6442418 | 0.83 | CYP2C9 (0.51) | ALDH1A1CYP2C9CYP3A4HSD17B10CYP2D6 | |
| SCHEMBL6444101 | 0.83 | CYP2C9 (0.56) | ALDH1A1CYP2C9CYP3A4HSD17B10CYP2D6 | |
| SCHEMBL6443286 | 0.83 | CYP2C9 (0.49) | CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8 | |
| SCHEMBL6442978 | 0.83 | CYP2C9 (0.51) | ALDH1A1CYP2C9CYP3A4HSD17B10CYP2D6 | |
| SCHEMBL6445721 | 0.82 | CYP2C9 (0.45) | CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8 |
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 |