Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.34 |
| ▸ | BAD | Q92934 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | HTR7 | P34969 | 1/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | PTBP1 | P26599 | 1/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9855216 | 1.00 | CYP1A2 (0.40) | CYP1A2CYP2C19CES2CES1TNFRSF1A | |
| SCHEMBL9855705 | 0.80 | CES2 (0.44) | CYP1A2CYP2C19CES2CES1TNFRSF1A | |
| SCHEMBL9855475 | 0.77 | HTR7 (0.38) | CYP1A2CYP2C19CES2CES1TNFRSF1A | |
| SCHEMBL9855471 | 0.77 | HTR7 (0.38) | CYP1A2CYP2C19CES2CES1TNFRSF1A | |
| SCHEMBL9855306 | 0.77 | CYP1A2 (0.37) | CYP1A2CYP2C19CES2CES1TNFRSF1A | |
| SCHEMBL9855301 | 0.77 | CYP1A2 (0.37) | CYP1A2CYP2C19CES2CES1TNFRSF1A | |
| SCHEMBL9621921 | 0.77 | CYP1A2 (0.37) | CYP1A2CYP2C19CES2CES1TNFRSF1A | |
| SCHEMBL9621919 | 0.77 | CYP1A2 (0.37) | CYP1A2CYP2C19CES2CES1TNFRSF1A | |
| SCHEMBL9855430 | 0.75 | CYP1A2 (0.35) | CYP1A2CYP2C19CES2CES1TNFRSF1A | |
| SCHEMBL9855611 | 0.75 | CYP1A2 (0.35) | CYP1A2CYP2C19CES2CES1TNFRSF1A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5011947-A | Enzyme inhibitors for cholesterol biosythesis | BRISTOL-MYERS (US) | 1991-04-30 | — | — | US | disclosed |