Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | LOXL2 | Q9Y4K0 | 3/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CFD | P00746 | 2/20 | 0.43 |
| ▸ | RECQL | P46063 | 2/20 | 0.42 |
| ▸ | ALPI | P09923 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | XIAP | P98170 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Benzylamine SCHEMBL11168465 | 0.87 | LOXL2 (0.67) | CYP2D6CYP1A2CYP2C9TSHRCYP2C19 | |
| Benzylamine SCHEMBL10635405 | 0.85 | LOXL2 (0.70) | CYP2D6CYP1A2CYP2C9TSHRCYP2C19 | |
| Benzylamine SCHEMBL20593186 | 0.85 | LOXL2 (0.70) | CYP2D6CYP1A2CYP2C9TSHRCYP2C19 | |
| Benzylamine SCHEMBL1256239 | 0.85 | LOXL2 (0.70) | CYP2D6CYP1A2CYP2C9TSHRCYP2C19 | |
| Benzylamine SCHEMBL18138713 | 0.83 | LOXL2 (0.67) | CYP2D6CYP1A2CYP2C9TSHRCYP2C19 | |
| Benzylamine SCHEMBL6848242 | 0.81 | LOXL2 (0.64) | CYP2D6CYP1A2CYP2C9TSHRCYP2C19 | |
| Benzylamine SCHEMBL2841170 | 0.80 | LOXL2 (0.78) | CYP2D6CYP1A2CYP2C9TSHRCYP2C19 | |
| Benzylamine SCHEMBL2841167 | 0.80 | LOXL2 (0.78) | CYP2D6CYP1A2CYP2C9TSHRCYP2C19 | |
| Benzylamine SCHEMBL8071959 | 0.79 | LOXL2 (0.61) | CYP2D6CYP1A2CYP2C9TSHRCYP2C19 | |
| Acetoacetic Acid SCHEMBL9501475 | 0.79 | TSHR (0.48) | CYP2D6CYP1A2CYP2C9TSHRCYP2C19 |
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-104672250-B | Substituted heteroaryl compound and combinations thereof and purposes | 广东东阳光药业有限公司 | 2017-11-07 | — | — | CN | disclosed |