Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.41 |
| ▸ | CYP2C8 | P10632 | 5/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.40 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.39 |
| ▸ | ANO1 | Q5XXA6 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | FAAH | O00519 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL10241973 | 0.93 | CYP3A4 (0.47) | CYP3A4CYP2C8KCNH2NR1I2FAAH | |
| SCHEMBL17340641 | 0.93 | CYP3A4 (0.47) | CYP3A4CYP2C8KCNH2NR1I2FAAH | |
| SCHEMBL10240173 | 0.79 | CYP3A4 (0.51) | CYP3A4CYP2C8KCNH2NR1I2RAB9A | |
| SCHEMBL10242040 | 0.77 | CYP3A4 (0.51) | CYP3A4CYP2C8KCNH2NR1I2RAB9A | |
| SCHEMBL10240293 | 0.77 | CYP3A4 (0.53) | CYP3A4CYP2C8KCNH2NR1I2FAAH | |
| SCHEMBL10280745 | 0.77 | CYP3A4 (0.45) | CYP3A4CYP2C8KCNH2NR1I2FAAH | |
| SCHEMBL1918586 | 0.77 | CYP3A4 (0.45) | CYP3A4CYP2C8KCNH2NR1I2FAAH | |
| SCHEMBL1918585 | 0.77 | CYP3A4 (0.45) | CYP3A4CYP2C8KCNH2NR1I2FAAH | |
| SCHEMBL10240158 | 0.77 | CYP3A4 (0.51) | CYP3A4CYP2C8KCNH2NR1I2RAB9A | |
| SCHEMBL10240161 | 0.77 | CYP3A4 (0.51) | CYP3A4CYP2C8KCNH2NR1I2RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010030592-A1 | COMPOUNDS FOR THE TREATMENT OF HEPATITIS C | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-03-18 | — | — | WO | disclosed |