Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 2/20 | 0.71 |
| ▸ | ATM | Q13315 | 1/20 | 0.71 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | CA12 | O43570 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | CA3 | P07451 | 2/20 | 0.46 |
| ▸ | CA4 | P22748 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 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 | |
|---|---|---|---|---|
| Orthocresol SCHEMBL11030781 | 1.00 | TRPA1 (0.71) | TRPA1ATMCYP2C19CYP1A2CA12 | |
| Orthocresol SCHEMBL11213183 | 1.00 | TRPA1 (0.71) | TRPA1ATMCYP2C19CYP1A2CA12 | |
| Orthocresol SCHEMBL11678278 | 1.00 | TRPA1 (0.71) | TRPA1ATMCYP2C19CYP1A2CA12 | |
| Phenol SCHEMBL11792275 | 0.96 | TRPA1 (0.77) | TRPA1ATMCYP2C19CYP1A2CA12 | |
| Phenol SCHEMBL1471734 | 0.96 | TRPA1 (0.77) | TRPA1ATMCYP2C19CYP1A2CA12 | |
| Orthocresol SCHEMBL8664909 | 0.91 | TRPA1 (0.85) | TRPA1ATMCYP2C19CYP1A2CA12 | |
| Orthocresol SCHEMBL3064108 | 0.91 | TRPA1 (0.85) | TRPA1ATMCYP2C19CYP1A2CA12 | |
| Orthocresol SCHEMBL9404100 | 0.91 | TRPA1 (0.85) | TRPA1ATMCYP2C19CYP1A2CA12 | |
| P-Cresol SCHEMBL11104677 | 0.91 | CYP1A2 (0.68) | TRPA1ATMCYP2C19CYP1A2CA12 | |
| Phenol SCHEMBL6131043 | 0.90 | TRPA1 (0.68) | TRPA1ATMCYP2C19CYP1A2CA12 |
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-4024195-A | CATALYST, ALCOHOL | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JA) | 1977-05-17 | — | — | US | disclosed |