Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 3/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.48 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | TSHR | P16473 | 4/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | GMNN | O75496 | 1/20 | 0.45 |
| ▸ | EGFR | P00533 | 1/20 | 0.45 |
| ▸ | FYN | P06241 | 1/20 | 0.45 |
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 SCHEMBL16002 | 0.89 | — | — | |
| Orthocresol SCHEMBL29395276 | 0.89 | — | — | |
| Orthocresol SCHEMBL8710164 | 0.89 | TRPA1 (0.60) | TRPA1ATMGABRA1GABRB2CYP1A2 | |
| Orthocresol SCHEMBL170162 | 0.89 | TRPA1 (0.60) | TRPA1ATMGABRA1GABRB2CYP1A2 | |
| Orthocresol SCHEMBL10419161 | 0.89 | TRPA1 (0.60) | TRPA1ATMGABRA1GABRB2CYP1A2 | |
| Orthocresol SCHEMBL11426298 | 0.87 | TRPA1 (0.48) | TRPA1ATMGABRA1GABRB2CYP1A2 | |
| O-Xylene SCHEMBL9789704 | 0.87 | CYP1A2 (0.51) | TRPA1ATMGABRA1GABRB2CYP1A2 | |
| Orthocresol SCHEMBL6227977 | 0.86 | — | — | |
| Orthocresol SCHEMBL3407681 | 0.86 | — | — | |
| Orthocresol SCHEMBL2210412 | 0.86 | ALDH1A1 (0.62) | TRPA1ATMGABRA1GABRB2CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-116496144-A | Method for producing thymol | 诺琪蓥精细化工科技(大连)有限公司 | 2023-07-28 | — | — | CN | disclosed |
| CN-116253618-A | Method for producing carvacrol by alkylation of o-cresol isopropanol/propylene | 诺琪蓥精细化工科技(大连)有限公司 | 2023-06-13 | — | — | CN | disclosed |