Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 7/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.40 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.39 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | CTSL | P07711 | 2/20 | 0.34 |
| ▸ | CTSB | P07858 | 2/20 | 0.34 |
| ▸ | CTSK | P43235 | 2/20 | 0.34 |
| ▸ | ABL1 | P00519 | 1/20 | 0.32 |
| ▸ | BCR | P11274 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL825058 | 0.90 | CYP3A4 (0.48) | CYP3A4CYP2C9NR1I2KCNH2OPRK1 | |
| SCHEMBL3060734 | 0.89 | CYP3A4 (0.45) | CYP3A4CYP2C9NR1I2KCNH2OPRK1 | |
| SCHEMBL824992 | 0.79 | KCNH2 (0.48) | CYP3A4CYP2C9KCNH2OPRK1CYP1A2 | |
| SCHEMBL1293937 | 0.76 | CYP3A4 (0.56) | CYP3A4CYP2C9NR1I2KCNH2OPRK1 | |
| SCHEMBL1293935 | 0.76 | CYP3A4 (0.56) | CYP3A4CYP2C9NR1I2KCNH2OPRK1 | |
| SCHEMBL827539 | 0.76 | KCNH2 (0.32) | KCNH2OPRK1 | |
| SCHEMBL11898194 | 0.76 | CYP3A4 (0.43) | CYP3A4CYP2C9NR1I2KCNH2OPRK1 | |
| SCHEMBL15355350 | 0.76 | CYP3A4 (0.43) | CYP3A4CYP2C9NR1I2KCNH2OPRK1 | |
| SCHEMBL11898216 | 0.76 | CYP3A4 (0.43) | CYP3A4CYP2C9NR1I2KCNH2OPRK1 | |
| SCHEMBL1294070 | 0.75 | CYP3A4 (0.54) | CYP3A4CYP2C9NR1I2KCNH2OPRK1 |
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-2417126-B1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2014-07-02 | — | — | EP | claimed |
| US-8143301-B2 | Hepatitis C virus inhibitors | BRISTOL MYERS SQUIBB COMPANY (US) | 2012-03-27 | — | — | US | claimed |