Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 6/20 | 0.65 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.65 |
| ▸ | TSHR | P16473 | 4/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.36 |
| ▸ | AHR | P35869 | 1/20 | 0.35 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.35 |
| ▸ | NOS1 | P29475 | 2/20 | 0.33 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.33 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL19854 | 0.79 | CYP2A6 (1.00) | CYP2A6CYP1A2TSHRLMNANR4A2 | |
| SCHEMBL29351228 | 0.79 | CYP2A6 (1.00) | CYP2A6CYP1A2TSHRLMNANR4A2 | |
| SCHEMBL31310956 | 0.79 | CYP2A6 (1.00) | CYP2A6CYP1A2TSHRLMNANR4A2 | |
| Naphthalene SCHEMBL8141546 | 0.77 | CYP2A6 (0.94) | CYP2A6CYP1A2TSHRLMNANR4A2 | |
| SCHEMBL2959450 | 0.77 | CYP2A6 (0.94) | CYP2A6CYP1A2TSHRLMNANR4A2 | |
| Hydrochloric Acid SCHEMBL28744332 | 0.77 | CYP2A6 (0.94) | CYP2A6CYP1A2TSHRLMNANR4A2 | |
| Ammonia Solution, Strong SCHEMBL11442084 | 0.77 | CYP2A6 (0.94) | CYP2A6CYP1A2TSHRLMNANR4A2 | |
| Hydrochloric Acid SCHEMBL28557123 | 0.77 | CYP2A6 (0.94) | CYP2A6CYP1A2TSHRLMNANR4A2 | |
| Methane SCHEMBL3891848 | 0.77 | CYP2A6 (0.94) | CYP2A6CYP1A2TSHRLMNANR4A2 | |
| Benzene SCHEMBL1286405 | 0.77 | CYP2A6 (0.94) | CYP2A6CYP1A2TSHRLMNANR4A2 |
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-115745720-A | Dehalogenation deuteration preparation method of deuteration aromatic compound | 浙大宁波理工学院 | 2023-03-07 | — | — | CN | disclosed |