Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.52 |
| ▸ | GAA | P10253 | 2/20 | 0.52 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | FADS1 | O60427 | 2/20 | 0.50 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.50 |
| ▸ | MAPK10 | P53779 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | IDO1 | P14902 | 2/20 | 0.48 |
| ▸ | ALPL | P05186 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | TTK | P33981 | 1/20 | 0.48 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.44 |
| ▸ | AURKA | O14965 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | YTHDC1 | Q96MU7 | 1/20 | 0.43 |
| ▸ | STAT3 | P40763 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL15392392 | 0.79 | TRPA1 (0.54) | TRPA1KDM4EGAAPDPK1CYP3A4 | |
| SCHEMBL11700794 | 0.79 | KDM4E (0.57) | TRPA1KDM4EGAAPDPK1CYP3A4 | |
| SCHEMBL11756891 | 0.79 | TRPA1 (0.54) | TRPA1KDM4EGAAPDPK1CYP3A4 | |
| SCHEMBL7172053 | 0.79 | TRPA1 (0.54) | TRPA1KDM4EGAAPDPK1CYP3A4 | |
| SCHEMBL31032755 | 0.79 | TRPA1 (0.54) | TRPA1KDM4EGAAPDPK1CYP3A4 | |
| SCHEMBL700943 | 0.79 | TRPA1 (0.50) | TRPA1KDM4EGAAPDPK1CYP3A4 | |
| SCHEMBL628692 | 0.78 | KDM4E (0.52) | TRPA1KDM4EGAAPDPK1CYP3A4 | |
| SCHEMBL4741513 | 0.76 | TRPA1 (0.75) | TRPA1KDM4EGAAPDPK1CYP3A4 | |
| SCHEMBL29882003 | 0.76 | TRPA1 (0.75) | TRPA1KDM4EGAAPDPK1CYP3A4 | |
| SCHEMBL966349 | 0.75 | TRPA1 (0.50) | TRPA1KDM4EGAAPDPK1CYP3A4 |
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-0888344-A1 | SPIROCYCLE INTEGRIN INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1999-01-07 | — | — | EP | disclosed |
| WO-1997033887-A1 | SPIROCYCLE INTEGRIN INHIBITORS | DU PONT PHARMACEUTICALS COMPANY (US) | 1997-09-18 | — | — | WO | disclosed |