Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 6/20 | 0.61 |
| ▸ | CYP2A6 | P11509 | 5/20 | 0.61 |
| ▸ | FADS1 | O60427 | 1/20 | 0.44 |
| ▸ | CYP1A1 | P04798 | 4/20 | 0.40 |
| ▸ | CYP1B1 | Q16678 | 4/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | KDM1A | O60341 | 1/20 | 0.38 |
| ▸ | RCOR1 | Q9UKL0 | 1/20 | 0.38 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | PTGES | O14684 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8208536 | 0.94 | CYP2A6 (0.68) | CYP1A2CYP2A6FADS1CYP1A1CYP1B1 | |
| SCHEMBL145859 | 0.94 | CYP2A6 (0.68) | CYP1A2CYP2A6FADS1CYP1A1CYP1B1 | |
| Methyl Alcohol SCHEMBL28240100 | 0.89 | CYP2A6 (0.61) | CYP1A2CYP2A6FADS1CYP1B1TSHR | |
| Phenol SCHEMBL6410569 | 0.88 | CYP2A6 (0.55) | CYP1A2CYP2A6TSHRGRIK1LMNA | |
| Chlorobenzene SCHEMBL22529164 | 0.87 | CYP2A6 (0.81) | CYP1A2CYP2A6FADS1TSHRLMNA | |
| Acetone SCHEMBL28077025 | 0.85 | CYP2A6 (0.55) | CYP1A2CYP2A6CYP1A1CYP1B1GRIK1 | |
| Chlorobenzene SCHEMBL20479175 | 0.84 | CYP2A6 (0.85) | CYP1A2CYP2A6TSHRGRIK1LMNA | |
| Dimethylformamide SCHEMBL28302419 | 0.81 | CYP2A6 (0.50) | CYP1A2CYP2A6FADS1CYP1A1CYP1B1 | |
| Naphthalene SCHEMBL8141546 | 0.80 | CYP2A6 (0.94) | CYP1A2CYP2A6CYP1B1TSHRLMNA | |
| Benzene SCHEMBL1286405 | 0.80 | CYP2A6 (0.94) | CYP1A2CYP2A6CYP1B1TSHRLMNA |
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 |
|---|---|---|---|---|---|---|---|
| CN-103402636-B | Manufacture the method for modified metal cyclopentadienyl catalyst, the catalyst made and application thereof | 格雷斯公司 | 2016-12-14 | — | — | CN | disclosed |