Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 8/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 7/20 | 0.40 |
| ▸ | NQO2 | P16083 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | ACHE | P22303 | 3/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL458019 | 1.00 | CYP2A6 (0.44) | CYP2A6TDP1CYP1A2NQO2ALDH1A1 | |
| SCHEMBL2698723 | 0.83 | CYP2A6 (0.46) | CYP2A6TDP1CYP1A2NQO2ALDH1A1 | |
| SCHEMBL666751 | 0.79 | CYP2A6 (0.48) | CYP2A6TDP1CYP1A2NQO2ALDH1A1 | |
| SCHEMBL667864 | 0.77 | CYP1A2 (0.52) | CYP2A6TDP1CYP1A2NQO2ALDH1A1 | |
| SCHEMBL2314445 | 0.76 | MAPT (0.35) | CYP2A6NQO2ALDH1A1ACHEGLA | |
| SCHEMBL456729 | 0.74 | CYP2A6 (0.46) | CYP2A6CYP1A2NQO2ALDH1A1ACHE | |
| SCHEMBL18317648 | 0.74 | CYP2A6 (0.44) | CYP2A6TDP1CYP1A2ALDH1A1MAPT | |
| SCHEMBL457801 | 0.73 | CYP2A6 (0.44) | CYP2A6CYP1A2NQO2ALDH1A1ACHE | |
| SCHEMBL458135 | 0.73 | CYP2A6 (0.44) | CYP2A6TDP1NQO2ALDH1A1ACHE | |
| SCHEMBL75079 | 0.73 | ALDH1A1 (0.44) | CYP2A6TDP1NQO2ALDH1A1ACHE |
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-5171880-A | Sulfur or oxidized sulfur in a base | ALLIED-SIGNAL INC. (US) | 1992-12-15 | — | — | US | disclosed |
| US-5171891-A | Using sulfur containing oxy acids and their salts | ALLIED-SIGNAL INC. (US) | 1992-12-15 | — | — | US | disclosed |