Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.57 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | CTSC | P53634 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.40 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.40 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.40 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | MME | P08473 | 1/20 | 0.38 |
| ▸ | ACE | P12821 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.38 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.38 |
| ▸ | ABCB11 | O95342 | 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 | |
|---|---|---|---|---|
| SCHEMBL7350157 | 0.82 | CYP2C19 (0.75) | CYP2C19RAB9ACTSCALDH1A1SLC1A3 | |
| SCHEMBL7372347 | 0.81 | CYP2C19 (0.55) | CYP2C19RAB9ACTSCALDH1A1SLC1A3 | |
| SCHEMBL7376555 | 0.81 | CYP2C19 (0.55) | CYP2C19RAB9ACTSCALDH1A1SLC1A3 | |
| SCHEMBL17762784 | 0.80 | CYP2C19 (0.66) | CYP2C19RAB9ACTSCALDH1A1SLC1A3 | |
| SCHEMBL2400082 | 0.80 | CYP2C19 (0.66) | CYP2C19RAB9ACTSCALDH1A1SLC1A3 | |
| SCHEMBL6533655 | 0.76 | CYP2C19 (0.66) | CYP2C19RAB9ACTSCALDH1A1SLC1A3 | |
| SCHEMBL838962 | 0.76 | CYP1A2 (0.63) | CYP2C19SLC1A3SLC1A2SLC1A1CPB2 | |
| SCHEMBL6154521 | 0.76 | CYP1A2 (0.63) | CYP2C19SLC1A3SLC1A2SLC1A1CPB2 | |
| SCHEMBL838961 | 0.76 | CYP1A2 (0.63) | CYP2C19SLC1A3SLC1A2SLC1A1CPB2 | |
| Benzylamine SCHEMBL6160042 | 0.76 | CYP2C19 (0.46) | CYP2C19RAB9ACTSCSLC1A3SLC1A2 |
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-0640594-A1 | Hydantoin derivative as metalloprotease inhibitor | FUJIREBIO INC. (JP) | 1995-03-01 | — | — | EP | disclosed |