Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.38 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.38 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.38 |
| ▸ | PEPD | P12955 | 1/20 | 0.38 |
| ▸ | XPNPEP1 | Q9NQW7 | 1/20 | 0.38 |
| ▸ | DPP4 | P27487 | 3/20 | 0.37 |
| ▸ | DPP8 | Q6V1X1 | 2/20 | 0.37 |
| ▸ | DPP9 | Q86TI2 | 2/20 | 0.37 |
| ▸ | ABL1 | P00519 | 1/20 | 0.35 |
| ▸ | BCR | P11274 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CAPN1 | P07384 | 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 | |
|---|---|---|---|---|
| SCHEMBL10140557 | 1.00 | PIN1 (0.40) | PIN1CYP3A4CYP2C9KCNH2NR1I2 | |
| SCHEMBL3268607 | 1.00 | PIN1 (0.40) | PIN1CYP3A4CYP2C9KCNH2NR1I2 | |
| SCHEMBL15765617 | 1.00 | PIN1 (0.40) | PIN1CYP3A4CYP2C9KCNH2NR1I2 | |
| SCHEMBL15765653 | 1.00 | PIN1 (0.40) | PIN1CYP3A4CYP2C9KCNH2NR1I2 | |
| SCHEMBL12402532 | 1.00 | PIN1 (0.40) | PIN1CYP3A4CYP2C9KCNH2NR1I2 | |
| SCHEMBL3265347 | 1.00 | PIN1 (0.40) | PIN1CYP3A4CYP2C9KCNH2NR1I2 | |
| SCHEMBL15478299 | 0.86 | CYP2C9 (0.40) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL18949011 | 0.86 | CYP2C9 (0.40) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL10119246 | 0.85 | PIK3CD (0.40) | PIN1CYP3A4CYP2C9KCNH2NR1I2 | |
| SCHEMBL9972557 | 0.85 | PIK3CD (0.40) | PIN1CYP3A4CYP2C9KCNH2NR1I2 |
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 |
|---|---|---|---|---|---|---|---|
| US-9676802-B2 | Hepatitis C virus inhibitors | ENANTA PHARMACEUTICALS, INC. (US) | 2017-06-13 | — | — | US | disclosed |