Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TPSAB1 | Q15661 | 4/20 | 0.42 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | MGLL | Q99685 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | CCR5 | P51681 | 1/20 | 0.40 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.39 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7107726 | 0.99 | TPSAB1 (0.41) | TPSAB1PARP1MGLLCA12CA1 | |
| Hydrochloric Acid SCHEMBL4399047 | 0.99 | TPSAB1 (0.41) | TPSAB1PARP1MGLLCA12CA1 | |
| SCHEMBL7026391 | 0.86 | CA12 (0.42) | TPSAB1MGLLCA12CA1CA2 | |
| SCHEMBL7021172 | 0.85 | TPSAB1 (0.53) | TPSAB1 | |
| Hydrochloric Acid SCHEMBL4399044 | 0.85 | CA12 (0.41) | TPSAB1MGLLCA12CA1CA2 | |
| SCHEMBL7018734 | 0.85 | TPSAB1 (0.46) | TPSAB1PARP1CA12CA1CA2 | |
| Hydrochloric Acid SCHEMBL4402047 | 0.85 | TPSAB1 (0.52) | TPSAB1 | |
| SCHEMBL1872130 | 0.83 | HPN (0.47) | PARP1CA12CA1CA2CA7 | |
| Hydrochloric Acid SCHEMBL27517324 | 0.83 | MGLL (0.39) | MGLLCA12CA1CA2CA7 | |
| Hydrochloric Acid SCHEMBL1867557 | 0.82 | HPN (0.46) | PARP1CA12CA1CA2CA7 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6977263-B2 | Chemical compounds | AVENTIS PHARMACEUTICALS INC. (US) | 2005-12-20 | — | — | US | disclosed |
| 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 |