Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.32 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.32 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.31 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | ABL1 | P00519 | 1/20 | 0.30 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.30 |
| ▸ | BCR | P11274 | 1/20 | 0.30 |
| ▸ | PDE7A | Q13946 | 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 | |
|---|---|---|---|---|
| SCHEMBL4125923 | 0.80 | MAOB (0.40) | ALDH1A1CYP1A1CYP1B1HSD17B1HSD17B2 | |
| SCHEMBL28502229 | 0.80 | CA12 (0.36) | ALDH1A1CYP1A1CYP1B1CYP1A2CYP2A6 | |
| SCHEMBL4455156 | 0.75 | GPR35 (0.36) | ALDH1A1 | |
| SCHEMBL16346014 | 0.72 | NMT1 (0.31) | — | |
| SCHEMBL767050 | 0.71 | ERN1 (0.34) | ALDH1A1 | |
| SCHEMBL19783319 | 0.69 | CYP1A2 (0.41) | ALDH1A1CYP1A1CYP1B1HSD17B1HSD17B2 | |
| SCHEMBL5546147 | 0.68 | ALDH1A1 (0.32) | ALDH1A1 | |
| SCHEMBL5539069 | 0.67 | AHR (0.41) | — | |
| SCHEMBL533282 | 0.67 | CYP2A6 (0.47) | ALDH1A1HSD17B1HSD17B2CYP1A2CYP2A6 | |
| SCHEMBL766977 | 0.66 | HTR2A (0.31) | — |
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 |