Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.43 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL14334765 | 0.90 | KCNH2 (0.41) | KCNH2CYP2C9CYP2C19KMT2AMEN1 | |
| SCHEMBL751180 | 0.83 | MEN1 (0.48) | KCNH2CYP2C9CYP2C19KMT2AMEN1 | |
| SCHEMBL751369 | 0.80 | KCNH2 (0.49) | KCNH2CYP2C9CYP2C19KMT2AMEN1 | |
| SCHEMBL14334610 | 0.80 | ALDH1A1 (0.43) | CYP2C9CYP2C19KMT2AMEN1HCRTR1 | |
| SCHEMBL749726 | 0.80 | KCNH2 (0.48) | KCNH2CYP2C9CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL750422 | 0.80 | KCNH2 (0.48) | KCNH2CYP2C9CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL14334764 | 0.78 | EGFR (0.40) | KCNH2CYP2C9CYP2C19ALDH1A1CYP3A4 | |
| SCHEMBL204291 | 0.78 | KCNH2 (0.64) | KCNH2CYP2C9CYP2C19KMT2AMEN1 | |
| SCHEMBL2706552 | 0.78 | KCNH2 (0.64) | KCNH2CYP2C9CYP2C19KMT2AMEN1 | |
| SCHEMBL15017813 | 0.76 | CYP3A4 (0.67) | KCNH2CYP2C9CYP3A4CYP2D6CYP1A2 |
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-2430014-A1 | ANTIVIRAL COMPOUNDS | Gilead Sciences, Inc. (US) | 2012-03-21 | — | — | EP | disclosed |
| WO-2010132601-A1 | ANTIVIRAL COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2010-11-18 | — | — | WO | disclosed |