Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL8816870 | 0.80 | — | — | |
| Orthocresol SCHEMBL29395276 | 0.71 | — | — | |
| Orthocresol SCHEMBL16002 | 0.71 | — | — | |
| Orthocresol SCHEMBL8710164 | 0.71 | TRPA1 (0.60) | CYP1A2CYP2C19TRPA1ATMHSD17B10 | |
| Orthocresol SCHEMBL10419161 | 0.71 | TRPA1 (0.60) | CYP1A2CYP2C19TRPA1ATMHSD17B10 | |
| Orthocresol SCHEMBL170162 | 0.71 | TRPA1 (0.60) | CYP1A2CYP2C19TRPA1ATMHSD17B10 | |
| SCHEMBL23628382 | 0.69 | HTR2C (0.33) | HSD17B10 | |
| Orthocresol SCHEMBL6542442 | 0.69 | TRPA1 (0.52) | CYP1A2CYP2C19TRPA1ATMHSD17B10 | |
| Orthocresol SCHEMBL2210412 | 0.69 | ALDH1A1 (0.62) | CYP1A2CYP2C19TRPA1ATMHSD17B10 | |
| Orthocresol SCHEMBL6227977 | 0.69 | — | — |
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-6156933-A | Supercritical hydrogenation | DEGUSSA-HULS AG (DE) | 2000-12-05 | — | — | US | disclosed |