Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 5/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 7/20 | 0.43 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.43 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.43 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.33 |
| ▸ | F2 | P00734 | 1/20 | 0.33 |
| ▸ | F11 | P03951 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.32 |
| ▸ | SSTR3 | P32745 | 1/20 | 0.32 |
| ▸ | PRCP | P42785 | 3/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL19339494 | 0.89 | CYP3A4 (0.57) | KCNH2CYP3A4CYP2C9NR1I2ABCB11 | |
| SCHEMBL2708144 | 0.89 | CYP3A4 (0.57) | KCNH2CYP3A4CYP2C9NR1I2ABCB11 | |
| SCHEMBL17656298 | 0.89 | CYP3A4 (0.57) | KCNH2CYP3A4CYP2C9NR1I2ABCB11 | |
| Hydrochloric Acid SCHEMBL3773034 | 0.84 | CYP3A4 (0.47) | KCNH2CYP3A4CYP2C9NR1I2ABCB11 | |
| SCHEMBL15404832 | 0.84 | CYP3A4 (0.66) | KCNH2CYP3A4CYP2C9NR1I2ABCB11 | |
| SCHEMBL8750768 | 0.84 | CYP3A4 (0.66) | KCNH2CYP3A4CYP2C9NR1I2ABCB11 | |
| SCHEMBL15430769 | 0.84 | CYP3A4 (0.66) | KCNH2CYP3A4CYP2C9NR1I2ABCB11 | |
| SCHEMBL21146377 | 0.84 | CYP3A4 (0.66) | KCNH2CYP3A4CYP2C9NR1I2ABCB11 | |
| SCHEMBL8749331 | 0.84 | CYP3A4 (0.66) | KCNH2CYP3A4CYP2C9NR1I2ABCB11 | |
| SCHEMBL6126879 | 0.84 | CYP3A4 (0.66) | KCNH2CYP3A4CYP2C9NR1I2ABCB11 |
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-2010132601-A1 | ANTIVIRAL COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2010-11-18 | — | — | WO | disclosed |