Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.39 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.39 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | TACR1 | P25103 | 2/20 | 0.37 |
| ▸ | SLC18A2 | Q05940 | 2/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4406579 | 1.00 | NPC1 (0.41) | NPC1TSHRMAPK1CHRM2CHRM4 | |
| SCHEMBL4406858 | 0.87 | TACR1 (0.43) | NPC1TSHRMAPK1CHRM2CHRM4 | |
| SCHEMBL6485542 | 0.86 | NPC1 (0.45) | NPC1TSHRMAPK1CHRM2CHRM4 | |
| SCHEMBL6528978 | 0.86 | NPC1 (0.45) | NPC1TSHRMAPK1CHRM2CHRM4 | |
| SCHEMBL4406581 | 0.85 | SLC18A2 (0.41) | NPC1TSHRMAPK1CHRM2CHRM4 | |
| Hydrochloric Acid SCHEMBL6485538 | 0.85 | NPC1 (0.45) | NPC1TSHRMAPK1CHRM2CHRM4 | |
| SCHEMBL4399108 | 0.84 | PARP1 (0.39) | PARP1 | |
| SCHEMBL4406915 | 0.80 | LMNA (0.38) | POLBGAA | |
| SCHEMBL4401746 | 0.78 | CCR5 (0.35) | POLBGAA | |
| Hydrochloric Acid SCHEMBL4405997 | 0.74 | NPC1 (0.39) | NPC1TSHRMAPK1MEN1POLB |
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-1296972-A1 | ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS | Aventis Pharmaceuticals Inc. (US) | 2003-04-02 | — | — | EP | disclosed |
| WO-2001090101-A1 | ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS | AVENTIS PHARMACEUTICALS INC. (US) | 2001-11-29 | — | — | WO | disclosed |