Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 7/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.44 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.44 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.44 |
| ▸ | ABL1 | P00519 | 1/20 | 0.35 |
| ▸ | BCR | P11274 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL203743 | 0.91 | CYP3A4 (0.51) | CYP3A4CYP2C9CYP1A2CYP2D6NR1I2 | |
| SCHEMBL19620024 | 0.86 | CYP3A4 (0.64) | CYP3A4CYP2C9CYP1A2CYP2D6NR1I2 | |
| SCHEMBL2684435 | 0.86 | CYP3A4 (0.64) | CYP3A4CYP2C9CYP1A2CYP2D6NR1I2 | |
| SCHEMBL2684441 | 0.86 | CYP3A4 (0.64) | CYP3A4CYP2C9CYP1A2CYP2D6NR1I2 | |
| SCHEMBL19619988 | 0.85 | CYP3A4 (0.47) | CYP3A4CYP2C9CYP1A2CYP2D6NR1I2 | |
| SCHEMBL22334592 | 0.85 | CYP3A4 (0.47) | CYP3A4CYP2C9CYP1A2CYP2D6NR1I2 | |
| SCHEMBL16282759 | 0.85 | CYP3A4 (0.47) | CYP3A4CYP2C9CYP1A2CYP2D6NR1I2 | |
| SCHEMBL22334557 | 0.85 | CYP3A4 (0.61) | CYP3A4CYP2C9CYP1A2CYP2D6NR1I2 | |
| SCHEMBL16282794 | 0.85 | CYP3A4 (0.46) | CYP3A4CYP2C9CYP1A2CYP2D6NR1I2 | |
| SCHEMBL16282755 | 0.85 | CYP3A4 (0.61) | CYP3A4CYP2C9CYP1A2CYP2D6NR1I2 |
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-3002281-B1 | ANTIVIRAL COMPOUNDS | GILEAD PHARMASSET LLC (US) | 2017-09-13 | — | — | EP | disclosed |
| EP-3002281-A1 | ANTIVIRAL COMPOUNDS | Gilead Pharmasset LLC (US) | 2016-04-06 | — | — | EP | disclosed |