Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 6/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | CTSC | P53634 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 4/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CTSS | P25774 | 1/20 | 0.38 |
| ▸ | CTSK | P43235 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL756370 | 0.81 | CYP2C19 (0.50) | CYP2C19RAB9APKMCTSCALDH1A1 | |
| SCHEMBL11982189 | 0.81 | CYP2C19 (0.50) | CYP2C19RAB9APKMCTSCALDH1A1 | |
| SCHEMBL755382 | 0.81 | CYP2C19 (0.50) | CYP2C19RAB9APKMCTSCALDH1A1 | |
| SCHEMBL22092589 | 0.77 | CYP2C19 (0.56) | CYP2C19RAB9APKMCTSCALDH1A1 | |
| SCHEMBL8621692 | 0.77 | CTSK (0.60) | CYP2C19RAB9APKMCTSCALDH1A1 | |
| SCHEMBL31757850 | 0.77 | CTSK (0.60) | CYP2C19RAB9APKMCTSCALDH1A1 | |
| SCHEMBL13702573 | 0.76 | CYP2C19 (0.44) | CYP2C19RAB9APKMALDH1A1HPGD | |
| SCHEMBL13702574 | 0.76 | CYP2C19 (0.44) | CYP2C19RAB9APKMALDH1A1HPGD | |
| SCHEMBL14864692 | 0.73 | RAB9A (0.48) | CYP2C19RAB9APKMCTSCALDH1A1 | |
| SCHEMBL14864789 | 0.73 | RAB9A (0.48) | CYP2C19RAB9APKMCTSCALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2245027-B1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2012-04-25 | — | — | EP | disclosed |