Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.50 |
| ▸ | AKR1C3 | P42330 | 11/20 | 0.49 |
| ▸ | AKR1C2 | P52895 | 11/20 | 0.49 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.49 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | CDC42 | P60953 | 1/20 | 0.49 |
| ▸ | RAC1 | P63000 | 1/20 | 0.49 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.49 |
| ▸ | RIOK2 | Q9BVS4 | 3/20 | 0.47 |
| ▸ | GSK3A | P49840 | 2/20 | 0.47 |
| ▸ | MAPK10 | P53779 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL14983577 | 0.93 | CYP1A2 (0.46) | CYP1A2CYP2A6AKR1C3AKR1C2PTGS2 | |
| SCHEMBL10041460 | 0.87 | AKR1C3 (0.65) | CYP1A2CYP2A6AKR1C3AKR1C2PTGS2 | |
| SCHEMBL11460825 | 0.87 | AKR1C3 (0.65) | CYP1A2CYP2A6AKR1C3AKR1C2PTGS2 | |
| SCHEMBL15695568 | 0.87 | AKR1C3 (0.53) | CYP1A2CYP2A6AKR1C3AKR1C2PTGS2 | |
| SCHEMBL17369634 | 0.87 | AKR1C3 (0.53) | CYP1A2CYP2A6AKR1C3AKR1C2PTGS2 | |
| SCHEMBL2600793 | 0.87 | AKR1C3 (0.65) | CYP1A2CYP2A6AKR1C3AKR1C2PTGS2 | |
| SCHEMBL11721635 | 0.85 | CYP1A2 (0.46) | CYP1A2CYP2A6AKR1C3AKR1C2PTGS2 | |
| Ammonia Solution, Strong SCHEMBL11722197 | 0.85 | AKR1C3 (0.63) | CYP1A2CYP2A6AKR1C3AKR1C2PTGS2 | |
| SCHEMBL27512232 | 0.82 | UGT2B7 (0.62) | CYP1A2AKR1C3AKR1C2PTGS2PTGS1 | |
| SCHEMBL11459746 | 0.82 | TDP1 (0.55) | CYP1A2AKR1C3AKR1C2PTGS2PTGS1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1829709-A | Bicyclic imidazol derivatives against flaviviridae | GENELABS TECH INC (US) | 2006-09-06 | — | — | CN | disclosed |