Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.52 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.52 |
| ▸ | P2RX7 | Q99572 | 5/20 | 0.33 |
| ▸ | PSEN1 | P49768 | 2/20 | 0.31 |
| ▸ | PSEN2 | P49810 | 2/20 | 0.31 |
| ▸ | APH1B | Q8WW43 | 2/20 | 0.31 |
| ▸ | NCSTN | Q92542 | 2/20 | 0.31 |
| ▸ | APH1A | Q96BI3 | 2/20 | 0.31 |
| ▸ | PSENEN | Q9NZ42 | 2/20 | 0.31 |
| ▸ | FNTA | P49354 | 1/20 | 0.30 |
| ▸ | FNTB | P49356 | 1/20 | 0.30 |
| ▸ | TACR3 | P29371 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL10095028 | 0.90 | CYP3A4 (0.67) | CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8 | |
| SCHEMBL10094993 | 0.82 | CYP3A4 (0.69) | CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8 | |
| SCHEMBL12624834 | 0.82 | CYP3A4 (0.68) | CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8 | |
| SCHEMBL10095030 | 0.82 | CYP3A4 (0.68) | CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8 | |
| SCHEMBL10095029 | 0.81 | CYP3A4 (0.67) | CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8 | |
| SCHEMBL21537945 | 0.80 | CYP2C9 (0.78) | CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8 | |
| SCHEMBL10095033 | 0.80 | CYP3A4 (0.65) | CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8 | |
| SCHEMBL10094984 | 0.77 | CYP3A4 (0.72) | CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8 | |
| SCHEMBL10094979 | 0.77 | CYP3A4 (0.72) | CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8 | |
| SCHEMBL10095004 | 0.75 | CYP2C9 (0.66) | 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-2303876-B1 | DIKETO AZOLOPIPERIDINES AND AZOLOPIPERAZINES AS ANTI-HIV AGENTS | BRISTOL MYERS SQUIBB CO (US) | 2014-03-19 | — | — | EP | disclosed |