Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 2/20 | 0.32 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.32 |
| ▸ | MMP2 | P08253 | 1/20 | 0.31 |
| ▸ | MMP9 | P14780 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 1/20 | 0.30 |
| ▸ | HTR4 | Q13639 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9914927 | 0.88 | CYP2C9 (0.45) | CYP2C9CYP3A4CYP1A2CYP2C8CYP2D6 | |
| SCHEMBL9914931 | 0.87 | CYP2C9 (0.47) | CYP2C9CYP3A4CYP1A2CYP2C8CYP2D6 | |
| SCHEMBL12101652 | 0.77 | CYP2C9 (0.39) | CYP2C9CYP3A4CYP1A2CYP2C8CYP2D6 | |
| SCHEMBL15273586 | 0.77 | CYP3A4 (0.66) | CYP2C9CYP3A4CYP1A2CYP2C8CYP2D6 | |
| SCHEMBL12101629 | 0.77 | CYP2C9 (0.36) | CYP2C9CYP3A4CYP1A2CYP2C8CYP2D6 | |
| SCHEMBL15273634 | 0.76 | CYP3A4 (0.67) | CYP2C9CYP3A4CYP1A2CYP2C8CYP2D6 | |
| SCHEMBL14385656 | 0.76 | CYP2C9 (0.48) | CYP2C9CYP3A4CYP1A2CYP2C8CYP2D6 | |
| SCHEMBL12513521 | 0.76 | CYP2C9 (0.45) | CYP2C9CYP3A4CYP1A2CYP2C8CYP2D6 | |
| SCHEMBL9914925 | 0.75 | CYP2C9 (0.47) | CYP2C9CYP3A4CYP1A2CYP2C8CYP2D6 | |
| SCHEMBL9914946 | 0.75 | CYP2C9 (0.47) | CYP2C9CYP3A4CYP1A2CYP2C8CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012075235-A1 | ALKYL AMIDES AS HIV ATTACHMENT INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-06-07 | — | — | WO | disclosed |