Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CETP | P11597 | 3/20 | 0.44 |
| ▸ | GPR3 | P46089 | 2/20 | 0.43 |
| ▸ | KIF11 | P52732 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | DAO | P14920 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | RXRA | P19793 | 1/20 | 0.39 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.39 |
| ▸ | SYK | P43405 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3720181 | 0.85 | CETP (0.42) | CETPKIF11CHRM2CHRM1CHRM3 | |
| SCHEMBL3147185 | 0.83 | GPR3 (0.50) | CETPGPR3KIF11CHRM2CHRM1 | |
| SCHEMBL1770370 | 0.83 | TP53 (0.50) | MAOBALDH1A1TSHRTP53CYP3A4 | |
| SCHEMBL3923640 | 0.81 | MAPT (0.50) | CETPGPR3ALDH1A1TSHRTP53 | |
| SCHEMBL2005052 | 0.81 | SYK (0.41) | CETPGPR3KIF11CHRM2CHRM1 | |
| SCHEMBL2091804 | 0.81 | CETP (0.44) | CETPKIF11CHRM2CHRM1CHRM3 | |
| SCHEMBL12251494 | 0.81 | TP53 (0.53) | CHRM2CHRM1CHRM3MAOBALDH1A1 | |
| SCHEMBL2091806 | 0.81 | CETP (0.44) | CETPKIF11CHRM2CHRM1CHRM3 | |
| SCHEMBL5270292 | 0.80 | KCNH2 (0.47) | CETPGPR3KIF11CHRM2CHRM1 | |
| SCHEMBL3146332 | 0.79 | GPR3 (0.44) | CETPGPR3KIF11CHRM2CHRM1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009001127-A1 | CYANOCYCLOPROPYLCARBOXAMIDES AS CATHEPSIN INHIBITORS | ASTRAZENECA AB (SE) | 2008-12-31 | — | — | WO | disclosed |
| WO-2005051381-A1 | Substituted urea-octatydroindols as antagonists of melanin concentrating hormone receptor 1 (MCH1R) | BIOVITRUM AB (SE) | 2005-06-09 | — | — | WO | disclosed |
| WO-2000051984-A1 | 2-ARYL INDOLE DERIVATIVES AS ANTAGONISTS OF TACHYKININS | MERCK SHARP & DOHME LIMITED (GB) | 2000-09-08 | — | — | WO | disclosed |