Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.56 |
| ▸ | RAB9A | P51151 | 3/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | MMP8 | P22894 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.48 |
| ▸ | PTGES | O14684 | 1/20 | 0.47 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.47 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL1690511 | 0.88 | NPC1 (0.61) | NPC1RAB9ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL1696487 | 0.84 | NPC1 (0.62) | NPC1RAB9ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL15676743 | 0.84 | NPC1 (0.66) | NPC1RAB9ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL18718185 | 0.77 | MEN1 (0.63) | RAB9ALMNAALDH1A1MAPTKDM4E | |
| SCHEMBL18773847 | 0.77 | KMT2A (0.77) | NPC1RAB9ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL1690488 | 0.75 | GAA (0.60) | NPC1RAB9ACYP1A2CYP3A4CYP2C19 | |
| SCHEMBL10397739 | 0.74 | NPC1 (0.71) | NPC1RAB9ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL30184438 | 0.73 | NPC1 (1.00) | NPC1RAB9ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL4642544 | 0.73 | NPC1 (1.00) | NPC1RAB9ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL21914836 | 0.73 | NPC1 (0.80) | NPC1RAB9ACYP1A2CYP3A4CYP2D6 |
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-9617224-B2 | Five-membered heterocycles useful as serine protease inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-04-11 | — | — | US | disclosed |