Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 2/20 | 0.71 |
| ▸ | ATM | Q13315 | 1/20 | 0.71 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 3/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 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 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.40 |
| ▸ | ESR1 | P03372 | 3/20 | 0.40 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.37 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
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 SCHEMBL10802833 | 0.96 | TRPA1 (0.62) | TRPA1ATMCYP1A2CYP2C19TP53 | |
| SCHEMBL7775093 | 0.94 | TRPA1 (0.81) | TRPA1ATMCYP1A2CYP2C19TP53 | |
| Orthocresol SCHEMBL9404100 | 0.91 | TRPA1 (0.85) | TRPA1ATMCYP1A2CYP2C19TP53 | |
| Orthocresol SCHEMBL3064108 | 0.91 | TRPA1 (0.85) | TRPA1ATMCYP1A2CYP2C19TP53 | |
| Orthocresol SCHEMBL8664909 | 0.91 | TRPA1 (0.85) | TRPA1ATMCYP1A2CYP2C19TP53 | |
| Orthocresol SCHEMBL2778122 | 0.85 | TRPA1 (0.74) | TRPA1ATMCYP1A2CYP2C19TP53 | |
| Orthocresol SCHEMBL1137719 | 0.85 | TRPA1 (0.74) | TRPA1ATMCYP1A2CYP2C19TP53 | |
| SCHEMBL5940935 | 0.84 | TRPA1 (1.00) | TRPA1ATMCYP1A2CYP2C19TP53 | |
| SCHEMBL29622820 | 0.84 | — | — | |
| SCHEMBL3498 | 0.84 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0592494-A4 | — | — | 1994-08-31 | — | — | EP | disclosed |
| WO-1992022528-A2 | CONTROLLED CATALYTIC AND THERMAL SEQUENTIAL PYROLYSIS AND HYDROLYSIS OF MIXED POLYMER WASTE STREAMS TO SEQUENTIALLY RECOVER MONOMERS OR OTHER HIGH VALUE PRODUCTS | MIDWEST RESEARCH INSTITUTE (US) | 1992-12-23 | — | — | WO | disclosed |