Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1A | P48039 | 1/20 | 0.39 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.39 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.36 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.36 |
| ▸ | ITGAL | P20701 | 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 |
| ▸ | SMPD3 | Q9NY59 | 6/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | AVPR1B | P47901 | 1/20 | 0.34 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.34 |
| ▸ | DGAT2 | Q96PD7 | 1/20 | 0.34 |
| ▸ | F10 | P00742 | 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 | |
|---|---|---|---|---|
| SCHEMBL4721585 | 1.00 | MTNR1A (0.39) | MTNR1AMTNR1BITGB2ICAM1ITGAL | |
| SCHEMBL4724566 | 0.92 | MTNR1A (0.40) | MTNR1AMTNR1BITGB2ICAM1ITGAL | |
| SCHEMBL4724569 | 0.92 | MTNR1A (0.40) | MTNR1AMTNR1BITGB2ICAM1ITGAL | |
| SCHEMBL4721648 | 0.91 | MTNR1A (0.39) | MTNR1AMTNR1BITGB2ICAM1ITGAL | |
| SCHEMBL4721652 | 0.91 | MTNR1A (0.39) | MTNR1AMTNR1BITGB2ICAM1ITGAL | |
| SCHEMBL4719364 | 0.90 | P2RX7 (0.36) | KDM4EUSP2ALDH1A1HPGDMAPK1 | |
| SCHEMBL4719363 | 0.90 | P2RX7 (0.36) | KDM4EUSP2ALDH1A1HPGDMAPK1 | |
| SCHEMBL4721019 | 0.88 | SMPD3 (0.37) | ITGB2ICAM1ITGALSMPD3SMPD2 | |
| SCHEMBL4721024 | 0.88 | SMPD3 (0.37) | ITGB2ICAM1ITGALSMPD3SMPD2 | |
| SCHEMBL4720196 | 0.88 | TDP1 (0.38) | KDM4EUSP2ALDH1A1HPGDMAPK1 |
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 |