Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.39 |
| ▸ | ESR1 | P03372 | 4/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | PDE4A | P27815 | 1/20 | 0.34 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.34 |
| ▸ | SMPD3 | Q9NY59 | 3/20 | 0.33 |
| ▸ | AMY1A | P0DUB6 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | FLT3 | P36888 | 1/20 | 0.32 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.32 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.32 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL16198229 | 0.80 | AMY1A (0.36) | MAPTAMY1AKDM4EALDH1A1 | |
| SCHEMBL9306577 | 0.80 | ESR2 (0.42) | CYP3A4MAPTESR2ESR1PTGS2 | |
| SCHEMBL7479166 | 0.78 | CYP3A4 (0.39) | CYP3A4MAPTESR2ESR1PTGS2 | |
| SCHEMBL9306374 | 0.73 | CYP3A4 (0.41) | CYP3A4MAPTESR2ESR1PTGS2 | |
| SCHEMBL2549634 | 0.72 | NQO2 (0.44) | MAPTAMY1AKDM4EALDH1A1LMNA | |
| SCHEMBL21723167 | 0.69 | MAPT (0.52) | CYP3A4MAPTESR2ESR1PTGS2 | |
| SCHEMBL211457 | 0.68 | AMY1A (0.45) | ALOX5AMY1APDGFRBPDGFRA | |
| SCHEMBL23757778 | 0.67 | CYP3A4 (0.61) | CYP3A4MAPTESR2ESR1PTGS2 | |
| SCHEMBL8064768 | 0.66 | CYP3A4 (0.67) | CYP3A4MAPTESR2ESR1PTGS2 | |
| SCHEMBL9455942 | 0.64 | AMY1A (0.47) | MAPTALOX5AMY1AKDM4ELMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-5347008-A | Thio(cyclo) alkanepolycarboxylic acids containing heterocyclic substituents | CIBA-GEIGY CORPORATION (US) | 1994-09-13 | — | — | US | disclosed |
| EP-0129506-A2 | Heterocyclically substituted thio(cyclo)alkane polycarboxylic acids | CIBA-GEIGY AG (CH) | 1984-12-27 | — | — | EP | disclosed |