Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.71 |
| ▸ | AHR | P35869 | 5/20 | 0.58 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.51 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.50 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.48 |
| ▸ | MAOB | P27338 | 2/20 | 0.47 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.46 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.46 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.45 |
| ▸ | CSNK2A1 | P68400 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | EIF4E | P06730 | 1/20 | 0.42 |
| ▸ | USP7 | Q93009 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29617534 | 0.89 | AHR (0.60) | CYP2A6AHRHSD11B1CYP1B1MAOB | |
| SCHEMBL3111742 | 0.89 | AHR (0.60) | CYP2A6AHRHSD11B1CYP1B1MAOB | |
| SCHEMBL9636468 | 0.87 | CYP2A6 (0.84) | CYP2A6HSD11B1ESR2MAOBCSNK2A1 | |
| SCHEMBL1443418 | 0.84 | AHR (0.74) | CYP2A6AHRCYP1B1ESR2PTGER1 | |
| SCHEMBL6436152 | 0.84 | CYP2A6 (0.90) | CYP2A6HSD11B1ESR2MAOBCSNK2A1 | |
| SCHEMBL29493845 | 0.84 | AHR (0.74) | CYP2A6AHRCYP1B1ESR2PTGER1 | |
| SCHEMBL23628571 | 0.84 | CYP2A6 (1.00) | CYP2A6HSD11B1MAOBCSNK2A1LMNA | |
| SCHEMBL170230 | 0.84 | CYP2A6 (1.00) | CYP2A6HSD11B1MAOBCSNK2A1LMNA | |
| SCHEMBL29355088 | 0.84 | CYP2A6 (1.00) | CYP2A6HSD11B1MAOBCSNK2A1LMNA | |
| Benzene SCHEMBL28342327 | 0.84 | CYP2A6 (1.00) | CYP2A6HSD11B1MAOBCSNK2A1LMNA |
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-5877389-A | Process for the oxidative decomposition of organic compounds present in aqueous effluents | ELF AQUITAINE (FR) | 1999-03-02 | — | — | US | disclosed |