Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 5/20 | 0.44 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | MPI | P34949 | 1/20 | 0.43 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.42 |
| ▸ | DRD1 | P21728 | 3/20 | 0.42 |
| ▸ | DRD5 | P21918 | 3/20 | 0.42 |
| ▸ | DRD2 | P14416 | 2/20 | 0.42 |
| ▸ | DRD3 | P35462 | 2/20 | 0.42 |
| ▸ | TYMS | P04818 | 1/20 | 0.40 |
| ▸ | PLK1 | P53350 | 1/20 | 0.40 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.40 |
| ▸ | PLK3 | Q9H4B4 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 2/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | DRD4 | P21917 | 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 | |
|---|---|---|---|---|
| SCHEMBL9535703 | 0.75 | PLK1 (0.61) | CYP11B2ALDH1A1DRD2PLK1CSNK2A1 | |
| SCHEMBL10194591 | 0.74 | PLK1 (0.46) | SIGMAR1CYP19A1CYP11B2KDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL9534437 | 0.73 | PLK1 (0.59) | CYP11B2ALDH1A1DRD2PLK1CSNK2A1 | |
| SCHEMBL1985114 | 0.72 | DRD2 (0.44) | KDM4EALDH1A1MAPTDRD1DRD5 | |
| SCHEMBL181850 | 0.72 | STIM1 (0.44) | MAPT | |
| SCHEMBL17125335 | 0.71 | SIGMAR1 (0.47) | SIGMAR1CYP19A1CYP11B2KDM4EALDH1A1 | |
| SCHEMBL17125334 | 0.69 | DRD4 (0.51) | SIGMAR1CYP19A1CYP11B2KDM4EALDH1A1 | |
| SCHEMBL4895916 | 0.67 | METAP1 (0.61) | CYP19A1CYP11B2KDM4EALDH1A1MAPT | |
| SCHEMBL29392039 | 0.67 | MAOB (0.54) | CYP19A1KDM4EALDH1A1TYMSMAOB | |
| SCHEMBL1610337 | 0.67 | BCL2 (0.50) | SIGMAR1CYP19A1CYP11B2KDM4EALDH1A1 |
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-2363129-A1 | Pyrazole or triazole compounds and their use for the manufacture of a medicament for treating somatic mutation-related diseases | PTC Therapeutics, Inc. (US) | 2011-09-07 | — | — | EP | disclosed |
| EP-2316452-A1 | Pyrrol derivatives, uses thereof | PTC Therapeutics, Inc. (US) | 2011-05-04 | — | — | EP | disclosed |