Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB2 | P05107 | 3/20 | 0.40 |
| ▸ | ICAM1 | P05362 | 3/20 | 0.40 |
| ▸ | ITGAL | P20701 | 3/20 | 0.40 |
| ▸ | SMPD3 | Q9NY59 | 10/20 | 0.39 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.37 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.37 |
| ▸ | CCNC | P24863 | 2/20 | 0.35 |
| ▸ | CDK8 | P49336 | 2/20 | 0.35 |
| ▸ | SMPD2 | O60906 | 1/20 | 0.35 |
| ▸ | FPR1 | P21462 | 1/20 | 0.35 |
| ▸ | FPR2 | P25090 | 1/20 | 0.35 |
| ▸ | BTK | Q06187 | 1/20 | 0.35 |
| ▸ | ACACB | O00763 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4723315 | 1.00 | ITGB2 (0.40) | ITGB2ICAM1ITGALSMPD3MTNR1A | |
| SCHEMBL4721888 | 0.90 | SMPD3 (0.40) | ITGB2ICAM1ITGALSMPD3MTNR1A | |
| SCHEMBL4721614 | 0.90 | SMPD3 (0.40) | ITGB2ICAM1ITGALSMPD3MTNR1A | |
| SCHEMBL4721621 | 0.90 | SMPD3 (0.40) | ITGB2ICAM1ITGALSMPD3MTNR1A | |
| SCHEMBL4718873 | 0.88 | P2RX7 (0.35) | ITGB2ICAM1ITGAL | |
| SCHEMBL4718877 | 0.88 | P2RX7 (0.35) | ITGB2ICAM1ITGAL | |
| SCHEMBL4722039 | 0.85 | ITGB2 (0.37) | ITGB2ICAM1ITGALSMPD3MTNR1A | |
| SCHEMBL4721308 | 0.85 | ITGB2 (0.37) | ITGB2ICAM1ITGALSMPD3MTNR1A | |
| SCHEMBL4721312 | 0.85 | ITGB2 (0.37) | ITGB2ICAM1ITGALSMPD3MTNR1A | |
| SCHEMBL4720535 | 0.85 | SMPD3 (0.40) | ITGB2ICAM1ITGALSMPD3MTNR1A |
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-1953147-A1 | HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF | Japan Tobacco, Inc. (JP) | 2008-08-06 | — | — | EP | disclosed |
| EP-1953147-A1 | HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF | Japan Tobacco, Inc. (JP) | 2008-08-06 | — | — | EP | disclosed |