Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.67 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.67 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.67 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.67 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.67 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.67 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.59 |
| ▸ | PRCP | P42785 | 7/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.43 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1747561 | 1.00 | CYP3A4 (0.67) | CYP3A4CYP2C9NR1I2KCNH2ABCB11 | |
| SCHEMBL1747562 | 1.00 | CYP3A4 (0.67) | CYP3A4CYP2C9NR1I2KCNH2ABCB11 | |
| SCHEMBL1745614 | 0.93 | CYP3A4 (0.59) | CYP3A4CYP2C9NR1I2KCNH2ABCB11 | |
| SCHEMBL1747522 | 0.93 | CYP3A4 (0.59) | CYP3A4CYP2C9NR1I2KCNH2ABCB11 | |
| SCHEMBL1745612 | 0.93 | CYP3A4 (0.59) | CYP3A4CYP2C9NR1I2KCNH2ABCB11 | |
| SCHEMBL1747520 | 0.93 | CYP3A4 (0.59) | CYP3A4CYP2C9NR1I2KCNH2ABCB11 | |
| SCHEMBL12175111 | 0.91 | CYP3A4 (0.79) | CYP3A4CYP2C9NR1I2KCNH2ABCB11 | |
| Daclatasvir SCHEMBL16284212 | 0.90 | CYP3A4 (0.84) | CYP3A4CYP2C9NR1I2KCNH2ABCB11 | |
| Daclatasvir SCHEMBL21298493 | 0.90 | CYP3A4 (0.84) | CYP3A4CYP2C9NR1I2KCNH2ABCB11 | |
| SCHEMBL1747225 | 0.88 | CYP3A4 (0.59) | CYP3A4CYP2C9NR1I2KCNH2ABCB11 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2049522-A2 | HEPATITIS C VIRUS INHIBITORS | Brystol-Myers Squibb Company (US) | 2009-04-22 | — | — | EP | claimed |
| WO-2008021927-A2 | HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-02-21 | — | — | WO | claimed |