Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 3/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.31 |
| ▸ | P2RY6 | Q15077 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28866325 | 0.71 | TRPA1 (0.36) | TRPA1 | |
| SCHEMBL2986972 | 0.68 | TRPA1 (0.34) | TRPA1 | |
| SCHEMBL31619269 | 0.68 | TRPA1 (0.34) | TRPA1 | |
| SCHEMBL18699163 | 0.64 | TRPA1 (0.37) | TRPA1KDM4EALDH1A1HPGD | |
| SCHEMBL29756827 | 0.64 | MAOA (0.35) | MAOAMAOBKDM4EALDH1A1HPGD | |
| SCHEMBL57274 | 0.64 | MAOA (0.35) | MAOAMAOBKDM4EALDH1A1HPGD | |
| SCHEMBL30124141 | 0.63 | BRD4 (0.40) | TRPA1KDM4EALDH1A1HPGD | |
| SCHEMBL2418923 | 0.62 | KDM4E (0.38) | MAOAMAOBKDM4EALDH1A1HPGD | |
| Methane SCHEMBL5508429 | 0.62 | MAOA (0.34) | MAOAMAOBKDM4EALDH1A1HPGD | |
| SCHEMBL28445883 | 0.62 | MAOA (0.33) | MAOAMAOB |
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-2576536-A2 | HAEMATOPOIETIC-PROSTAGLANDIN D2 SYNTHASE INHIBITORS | The University of Queensland (AU) | 2013-04-10 | — | — | EP | disclosed |
| WO-2011150457-A2 | HAEMATOPOIETIC-PROSTAGLANDIN D2 SYNTHASE INHIBITORS | THE UNIVERSITY OF QUEENSLAND (AU) | 2011-12-08 | — | — | WO | disclosed |