Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 3/20 | 0.69 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.60 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.60 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.60 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3846150 | 0.94 | CYP2C9 (0.74) | CYP2C9CYP3A4CYP2D6CYP1A2CYP2C19 | |
| SCHEMBL6443641 | 0.90 | CYP2C9 (0.65) | CYP2C9CYP3A4CYP2D6CYP1A2CYP2C19 | |
| SCHEMBL6443686 | 0.90 | CYP2C9 (0.69) | CYP2C9CYP3A4CYP2D6CYP1A2CYP2C19 | |
| SCHEMBL6442045 | 0.88 | CYP2C9 (0.56) | CYP2C9CYP3A4CYP2D6CYP1A2CYP2C19 | |
| SCHEMBL8530418 | 0.88 | CYP2C9 (0.69) | CYP2C9CYP3A4CYP2D6CYP1A2CYP2C19 | |
| SCHEMBL6442066 | 0.88 | CYP2C9 (0.69) | CYP2C9CYP3A4CYP2D6CYP1A2CYP2C19 | |
| SCHEMBL13555237 | 0.88 | CYP2C9 (0.69) | CYP2C9CYP3A4CYP2D6CYP1A2CYP2C19 | |
| SCHEMBL6443610 | 0.85 | CYP2C9 (0.66) | CYP2C9CYP3A4CYP2D6CYP1A2CYP2C19 | |
| SCHEMBL6442956 | 0.84 | CYP2C9 (0.69) | CYP2C9CYP3A4CYP2D6CYP1A2CYP2C19 | |
| SCHEMBL6443134 | 0.84 | CYP2C9 (0.64) | CYP2C9CYP3A4CYP2D6CYP1A2CYP2C19 |
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 |