Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.32 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.32 |
| ▸ | NQO2 | P16083 | 1/20 | 0.31 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.31 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.31 |
| ▸ | RELA | Q04206 | 2/20 | 0.30 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.30 |
| ▸ | MAOA | P21397 | 1/20 | 0.30 |
| ▸ | MAOB | P27338 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL18207557 | 0.70 | CYP1A2 (0.41) | ALDH1A1CYP1A2CYP2A6CYP1A1CYP1B1 | |
| SCHEMBL7976066 | 0.68 | ALDH1A1 (0.34) | ALDH1A1CYP1A2CYP2A6CYP1A1CYP1B1 | |
| SCHEMBL4477922 | 0.67 | CYP2A6 (0.50) | ALDH1A1CYP1A2CYP2A6CYP1A1CYP1B1 | |
| SCHEMBL4467165 | 0.65 | CYP1A2 (0.39) | ALDH1A1CYP1A2CYP2A6 | |
| SCHEMBL7974038 | 0.64 | ALDH1A1 (0.34) | ALDH1A1MAOAMAOB | |
| SCHEMBL7972471 | 0.64 | ALDH1A1 (0.34) | ALDH1A1CYP1A2CYP2A6CYP1A1CYP1B1 | |
| SCHEMBL10897643 | 0.64 | CYP1A2 (0.52) | ALDH1A1CYP1A2CYP2A6NQO2 | |
| SCHEMBL1047515 | 0.64 | ALDH1A1 (0.56) | ALDH1A1CYP1A2CYP2A6CYP1A1CYP1B1 | |
| SCHEMBL4476964 | 0.63 | CYP2A6 (0.50) | ALDH1A1CYP1A2CYP2A6NQO2HSD17B1 | |
| SCHEMBL2560197 | 0.62 | ALDH1A1 (0.53) | ALDH1A1CYP1A2CYP2A6CYP1A1CYP1B1 |
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-6268514-B1 | TREATING INDUSTRIAL MATERIALS WITH NITROETHANE COMPOUND FOR PROTECTING AGAINST ATTACK AND DESTRUCTION BY MICROORGANISMS | BASF AKTIENGESELLSCHAFT (DE) | 2001-07-31 | — | — | US | disclosed |