Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB2 | P05107 | 1/20 | 0.38 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.38 |
| ▸ | ITGAL | P20701 | 1/20 | 0.38 |
| ▸ | SMPD3 | Q9NY59 | 11/20 | 0.38 |
| ▸ | CCNC | P24863 | 3/20 | 0.38 |
| ▸ | CDK8 | P49336 | 3/20 | 0.38 |
| ▸ | SMPD2 | O60906 | 1/20 | 0.36 |
| ▸ | FPR1 | P21462 | 1/20 | 0.36 |
| ▸ | FPR2 | P25090 | 1/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.35 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.35 |
| ▸ | ACACB | O00763 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4721051 | 1.00 | ITGB2 (0.38) | ITGB2ICAM1ITGALSMPD3CCNC | |
| SCHEMBL4724110 | 0.93 | SMPD3 (0.40) | ITGB2ICAM1ITGALSMPD3SMPD2 | |
| SCHEMBL4720535 | 0.93 | SMPD3 (0.40) | ITGB2ICAM1ITGALSMPD3SMPD2 | |
| SCHEMBL4720529 | 0.93 | SMPD3 (0.40) | ITGB2ICAM1ITGALSMPD3SMPD2 | |
| SCHEMBL4722313 | 0.89 | ITGB2 (0.36) | ITGB2ICAM1ITGALSMPD3CCNC | |
| SCHEMBL4722316 | 0.89 | ITGB2 (0.36) | ITGB2ICAM1ITGALSMPD3CCNC | |
| SCHEMBL4720969 | 0.89 | ABL1 (0.41) | ITGB2ICAM1ITGALCYP11B1CYP11B2 | |
| SCHEMBL4720971 | 0.89 | ABL1 (0.41) | ITGB2ICAM1ITGALCYP11B1CYP11B2 | |
| SCHEMBL4722276 | 0.87 | UGCG (0.36) | ITGB2ICAM1ITGALSMPD3CCNC | |
| SCHEMBL4720787 | 0.86 | MTNR1A (0.36) | CCNCCDK8MTNR1AMTNR1BACACB |
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 |