Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD3 | Q9NY59 | 11/20 | 0.40 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.40 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.40 |
| ▸ | ITGAL | P20701 | 1/20 | 0.40 |
| ▸ | SMPD2 | O60906 | 1/20 | 0.38 |
| ▸ | FPR1 | P21462 | 1/20 | 0.37 |
| ▸ | FPR2 | P25090 | 1/20 | 0.37 |
| ▸ | UGCG | Q16739 | 1/20 | 0.37 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.37 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.37 |
| ▸ | ACACB | O00763 | 1/20 | 0.36 |
| ▸ | F10 | P00742 | 2/20 | 0.36 |
| ▸ | SUV39H2 | Q9H5I1 | 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 | |
|---|---|---|---|---|
| SCHEMBL4720535 | 1.00 | SMPD3 (0.40) | SMPD3ITGB2ICAM1ITGALSMPD2 | |
| SCHEMBL4724110 | 1.00 | SMPD3 (0.40) | SMPD3ITGB2ICAM1ITGALSMPD2 | |
| SCHEMBL4722276 | 0.94 | UGCG (0.36) | SMPD3ITGB2ICAM1ITGALSMPD2 | |
| SCHEMBL4721051 | 0.93 | ITGB2 (0.38) | SMPD3ITGB2ICAM1ITGALSMPD2 | |
| SCHEMBL4721048 | 0.93 | ITGB2 (0.38) | SMPD3ITGB2ICAM1ITGALSMPD2 | |
| SCHEMBL4720787 | 0.93 | MTNR1A (0.36) | UGCGMTNR1AMTNR1BACACBF10 | |
| SCHEMBL4720791 | 0.93 | MTNR1A (0.36) | UGCGMTNR1AMTNR1BACACBF10 | |
| SCHEMBL4721701 | 0.92 | MTNR1A (0.42) | ITGB2ICAM1ITGALUGCGMTNR1A | |
| SCHEMBL4721705 | 0.92 | MTNR1A (0.42) | ITGB2ICAM1ITGALUGCGMTNR1A | |
| SCHEMBL4720913 | 0.91 | MTNR1A (0.50) | SMPD3UGCGMTNR1AMTNR1BF10 |
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 |