Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD3 | Q9NY59 | 12/20 | 0.38 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.36 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.36 |
| ▸ | ITGAL | P20701 | 1/20 | 0.36 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.36 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.36 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | SMPD2 | O60906 | 1/20 | 0.34 |
| ▸ | DDR1 | Q08345 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4720117 | 1.00 | SMPD3 (0.38) | SMPD3ITGB2ICAM1ITGALCACNA2D1 | |
| SCHEMBL4722923 | 0.91 | ITGB2 (0.37) | SMPD3ITGB2ICAM1ITGALMTNR1A | |
| SCHEMBL4722926 | 0.91 | ITGB2 (0.37) | SMPD3ITGB2ICAM1ITGALMTNR1A | |
| SCHEMBL4718551 | 0.90 | P2RX7 (0.36) | CACNA2D1KDM4EHPGDSMN1; SMN2 | |
| SCHEMBL4718554 | 0.90 | P2RX7 (0.36) | CACNA2D1KDM4EHPGDSMN1; SMN2 | |
| SCHEMBL4722374 | 0.88 | ITGB2 (0.37) | SMPD3ITGB2ICAM1ITGALMTNR1A | |
| SCHEMBL4722251 | 0.88 | ITGB2 (0.37) | SMPD3ITGB2ICAM1ITGALMTNR1A | |
| SCHEMBL4766491 | 0.88 | ITGB2 (0.37) | SMPD3ITGB2ICAM1ITGALMTNR1A | |
| SCHEMBL14101733 | 0.87 | F10 (0.38) | KDM4EALDH1A1HPGDMAPK1SMN1; SMN2 | |
| SCHEMBL4721652 | 0.86 | MTNR1A (0.39) | SMPD3ITGB2ICAM1ITGALMTNR1A |
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 |