Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.43 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.43 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.43 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.43 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.43 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.43 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | CCNB2 | O95067 | 7/20 | 0.37 |
| ▸ | CDK1 | P06493 | 7/20 | 0.37 |
| ▸ | CCNB1 | P14635 | 7/20 | 0.37 |
| ▸ | GSK3B | P49841 | 7/20 | 0.37 |
| ▸ | CDK5 | Q00535 | 7/20 | 0.37 |
| ▸ | CDK5R1 | Q15078 | 7/20 | 0.37 |
| ▸ | CCNB3 | Q8WWL7 | 7/20 | 0.37 |
| ▸ | CDC7 | O00311 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5378136 | 0.75 | CA12 (0.40) | CCNB2CDK1CCNB1GSK3BCDK5 | |
| SCHEMBL19737628 | 0.74 | GPR35 (0.44) | GPR35KDM4EGRIN2DGRIN3BGRIN1 | |
| SCHEMBL5358791 | 0.74 | POLB (0.48) | TSHRCYP3A4POLBCCNB2CDK1 | |
| SCHEMBL31108692 | 0.73 | PGR (0.48) | GPR35KDM4ECYP3A4POLBCCNB2 | |
| SCHEMBL260802 | 0.73 | PGR (0.48) | GPR35KDM4ECYP3A4POLBCCNB2 | |
| SCHEMBL10130338 | 0.73 | AHR (0.44) | CCNB2CDK1CCNB1GSK3BCDK5 | |
| SCHEMBL5246021 | 0.73 | CMA1 (0.41) | KDM4ETSHRCYP3A4CCNB2CDK1 | |
| SCHEMBL31383739 | 0.73 | CMA1 (0.41) | KDM4ETSHRCYP3A4CCNB2CDK1 | |
| SCHEMBL5789814 | 0.73 | GSK3B (0.38) | CCNB2CDK1CCNB1GSK3BCDK5 | |
| SCHEMBL5502745 | 0.71 | PGR (0.46) | TSHRCYP3A4POLBPGRALDH1A1 |
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-1675587-A2 | DERIVATIVES OF N-(1H-INDAZOLYL)- AND N-(1H-INDOLYL)-UREA AS WELL AS RELATED COMPOUNDS AS MODULATORS OF THE VANILLOID-1 RECEPTOR (VR1) FOR THE TREATMENT OF PAIN | MERCK SHARP & DOHME LTD. (GB) | 2006-07-05 | — | — | EP | disclosed |
| WO-2005028445-A2 | DERIVATIVES OF N-(1H-INDAZOLYL)- AND N-(1H-INDOLYL)-UREA AS WELL AS RELATED COMPOUNDS AS MODULATORS OF THE VANILLOID-1 RECEPTOR (VR1) FOR THE TREATMENT OF PAIN | MERCK SHARP & DOHME LIMITED (GB) | 2005-03-31 | — | — | WO | disclosed |