Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD3 | Q9NY59 | 9/20 | 0.38 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.36 |
| ▸ | SYK | P43405 | 1/20 | 0.36 |
| ▸ | FPR1 | P21462 | 1/20 | 0.35 |
| ▸ | FPR2 | P25090 | 1/20 | 0.35 |
| ▸ | ITGB2 | P05107 | 3/20 | 0.34 |
| ▸ | ICAM1 | P05362 | 3/20 | 0.34 |
| ▸ | ITGAL | P20701 | 3/20 | 0.34 |
| ▸ | PDE2A | O00408 | 1/20 | 0.34 |
| ▸ | SMPD2 | O60906 | 1/20 | 0.34 |
| ▸ | CCNC | P24863 | 1/20 | 0.33 |
| ▸ | CDK8 | P49336 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4720193 | 1.00 | SMPD3 (0.38) | SMPD3TRPV1SYKFPR1FPR2 | |
| SCHEMBL4722926 | 0.91 | ITGB2 (0.37) | SMPD3TRPV1FPR1FPR2ITGB2 | |
| SCHEMBL4722923 | 0.91 | ITGB2 (0.37) | SMPD3TRPV1FPR1FPR2ITGB2 | |
| SCHEMBL4721019 | 0.90 | SMPD3 (0.37) | SMPD3TRPV1SYKFPR1FPR2 | |
| SCHEMBL4721024 | 0.90 | SMPD3 (0.37) | SMPD3TRPV1SYKFPR1FPR2 | |
| SCHEMBL4722249 | 0.89 | P2RX7 (0.38) | — | |
| SCHEMBL4722245 | 0.89 | P2RX7 (0.38) | — | |
| SCHEMBL4724533 | 0.89 | SMPD3 (0.46) | SMPD3ITGB2ICAM1ITGALSMPD2 | |
| SCHEMBL4724531 | 0.89 | SMPD3 (0.46) | SMPD3ITGB2ICAM1ITGALSMPD2 | |
| SCHEMBL4719074 | 0.88 | SMPD3 (0.38) | SMPD3TRPV1SYKFPR1FPR2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1953147-A1 | HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF | Japan Tobacco, Inc. (JP) | 2008-08-06 | — | — | EP | disclosed |