Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA7 | P43166 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.45 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.44 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.42 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.42 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL1380703 | 0.95 | LMNA (0.47) | ALDH1A1LMNACYP3A4CYP2C19CYP2C9 | |
| SCHEMBL4395821 | 0.88 | CA12 (0.48) | ALDH1A1LMNAPARP10CA12CA1 | |
| SCHEMBL4406054 | 0.84 | LMNA (0.43) | ALDH1A1LMNACYP3A4CYP2C19CYP2C9 | |
| SCHEMBL7021172 | 0.80 | TPSAB1 (0.53) | — | |
| Hydrochloric Acid SCHEMBL4402047 | 0.79 | TPSAB1 (0.52) | — | |
| SCHEMBL4407004 | 0.77 | MEN1 (0.47) | ALDH1A1LMNACYP3A4CYP2C19CYP2C9 | |
| SCHEMBL9011197 | 0.77 | ALDH1A1 (0.65) | ALDH1A1LMNACYP3A4CYP2C19CYP2C9 | |
| SCHEMBL7027368 | 0.76 | TPSAB1 (0.45) | ALDH1A1MEN1KMT2ACA12CA1 | |
| SCHEMBL1384618 | 0.76 | F11 (0.44) | CA12CA1CA2CA7CA9 | |
| Hydrochloric Acid SCHEMBL4395982 | 0.76 | TPSAB1 (0.44) | ALDH1A1MEN1KMT2ACA12CA1 |
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-B1 | ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS | AVENTIS PHARMA INC (US) | 2009-12-23 | — | — | EP | claimed |
| US-6977263-B2 | Chemical compounds | AVENTIS PHARMACEUTICALS INC. (US) | 2005-12-20 | — | — | US | disclosed |