Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1A | P48039 | 4/20 | 0.50 |
| ▸ | MTNR1B | P49286 | 4/20 | 0.50 |
| ▸ | NAMPT | P43490 | 1/20 | 0.37 |
| ▸ | F10 | P00742 | 5/20 | 0.35 |
| ▸ | SMPD3 | Q9NY59 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | UGCG | Q16739 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.33 |
| ▸ | SUV39H2 | Q9H5I1 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | CCNC | P24863 | 1/20 | 0.33 |
| ▸ | CDK8 | P49336 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4720911 | 1.00 | MTNR1A (0.50) | MTNR1AMTNR1BNAMPTF10SMPD3 | |
| SCHEMBL4721701 | 0.94 | MTNR1A (0.42) | MTNR1AMTNR1BF10KMT2AUGCG | |
| SCHEMBL4721705 | 0.94 | MTNR1A (0.42) | MTNR1AMTNR1BF10KMT2AUGCG | |
| SCHEMBL4724110 | 0.91 | SMPD3 (0.40) | MTNR1AMTNR1BF10SMPD3UGCG | |
| SCHEMBL4720535 | 0.91 | SMPD3 (0.40) | MTNR1AMTNR1BF10SMPD3UGCG | |
| SCHEMBL4720529 | 0.91 | SMPD3 (0.40) | MTNR1AMTNR1BF10SMPD3UGCG | |
| SCHEMBL4720787 | 0.90 | MTNR1A (0.36) | MTNR1AMTNR1BF10KMT2AUGCG | |
| SCHEMBL4720791 | 0.90 | MTNR1A (0.36) | MTNR1AMTNR1BF10KMT2AUGCG | |
| Hydrochloric Acid SCHEMBL4719632 | 0.87 | CHRM1 (0.36) | F10UGCG | |
| SCHEMBL4720118 | 0.85 | SMPD3 (0.36) | F10SMPD3UGCGSUV39H2 |
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 |