Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 5/20 | 0.44 |
| ▸ | HTR2C | P28335 | 5/20 | 0.44 |
| ▸ | HTR2B | P41595 | 5/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | KDM4A | O75164 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | CASP7 | P55210 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | EGFR | P00533 | 2/20 | 0.38 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 5/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.35 |
| ▸ | CYP27A1 | Q02318 | 1/20 | 0.35 |
| ▸ | S1PR2 | O95136 | 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 | |
|---|---|---|---|---|
| SCHEMBL7779860 | 1.00 | HTR2A (0.44) | HTR2AHTR2CHTR2BALDH1A1MAPT | |
| SCHEMBL7779856 | 1.00 | HTR2A (0.44) | HTR2AHTR2CHTR2BALDH1A1MAPT | |
| SCHEMBL7953939 | 0.89 | MAPT (0.50) | ALDH1A1MAPTMAPK1KDM4EHPGD | |
| SCHEMBL7953943 | 0.89 | MAPT (0.50) | ALDH1A1MAPTMAPK1KDM4EHPGD | |
| SCHEMBL4690945 | 0.84 | ALDH1A1 (0.40) | ALDH1A1MAPTMAPK1KDM4EHPGD | |
| SCHEMBL4685573 | 0.84 | ALDH1A1 (0.40) | ALDH1A1MAPTMAPK1KDM4EHPGD | |
| SCHEMBL4685571 | 0.84 | ALDH1A1 (0.40) | ALDH1A1MAPTMAPK1KDM4EHPGD | |
| SCHEMBL7951877 | 0.80 | CYP19A1 (0.55) | ALDH1A1MAPTMAPK1KDM4EHPGD | |
| SCHEMBL7951875 | 0.80 | CYP19A1 (0.55) | ALDH1A1MAPTMAPK1KDM4EHPGD | |
| SCHEMBL7784799 | 0.76 | HTR2A (0.44) | HTR2AHTR2CHTR2BHSD17B10EGFR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0848699-B1 | BENZOCYCLOALKENE COMPOUNDS WITH MELATONINE RECEPTOR BINDING AFFINITY, THEIR PRODUCTION AND USE | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2001-10-24 | — | — | EP | disclosed |
| US-5922771-A | MELATONIN RECEPTOR AGONISTS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1999-07-13 | — | — | US | disclosed |