Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | GLA | P06280 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | CNR2 | P34972 | 14/20 | 0.47 |
| ▸ | CNR1 | P21554 | 11/20 | 0.47 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.46 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6877000 | 1.00 | KDM4E (0.50) | KDM4EALDH1A1GAAHPGDTSHR | |
| SCHEMBL6878289 | 0.90 | KDM4E (0.48) | KDM4EALDH1A1GAAHPGDTSHR | |
| SCHEMBL6878294 | 0.90 | KDM4E (0.48) | KDM4EALDH1A1GAAHPGDTSHR | |
| SCHEMBL6874823 | 0.88 | CNR2 (0.48) | HPGDCNR2CNR1MCHR1ADRA2A | |
| SCHEMBL6874816 | 0.88 | CNR2 (0.48) | HPGDCNR2CNR1MCHR1ADRA2A | |
| SCHEMBL6875053 | 0.87 | MCHR1 (0.49) | KDM4EMCHR1ADRA2A | |
| SCHEMBL6875056 | 0.87 | MCHR1 (0.49) | KDM4EMCHR1ADRA2A | |
| SCHEMBL6877947 | 0.87 | EPHX1 (0.46) | MCHR1ADRA2A | |
| SCHEMBL6877940 | 0.87 | EPHX1 (0.46) | MCHR1ADRA2A | |
| SCHEMBL6872993 | 0.86 | MCHR1 (0.51) | KDM4EMCHR1ADRA2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100451004-C | Pyrimidine derivatives | ARENA PHARM INC (JP) | 2009-01-14 | — | — | CN | disclosed |
| CN-1798736-A | Novel quinoline, tetrahydroquinazoline and pyrimidine derivatives and methods of treatment related to their use | ARENA PHARM INC (JP) | 2006-07-05 | — | — | CN | disclosed |
| EP-1464335-A2 | Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist | Taisho Pharmaceutical Co. Ltd. (JP) | 2004-10-06 | — | — | EP | disclosed |