Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.45 |
| ▸ | TSHR | P16473 | 4/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28307656 | 0.98 | CYP2A6 (0.49) | CYP2A6SMN1; SMN2TSHRCYP3A4ALOX15 | |
| SCHEMBL8042022 | 0.82 | CYP2A6 (0.49) | CYP2A6SMN1; SMN2TSHRCYP3A4ALOX15 | |
| SCHEMBL11339655 | 0.79 | CYP2A6 (0.53) | CYP2A6SMN1; SMN2CYP3A4ALOX15ALDH1A1 | |
| SCHEMBL29457615 | 0.78 | CYP1A2 (0.57) | CYP2A6SMN1; SMN2CYP3A4TDP1TP53 | |
| SCHEMBL549082 | 0.78 | CYP1A2 (0.57) | CYP2A6SMN1; SMN2CYP3A4TDP1TP53 | |
| Ammonia Solution, Strong SCHEMBL28847195 | 0.77 | ALDH1A1 (0.39) | ALDH1A1TDP1MAPTGAAHTT | |
| SCHEMBL4574084 | 0.77 | CYP2A6 (0.47) | CYP2A6SMN1; SMN2CYP3A4ALOX15TDP1 | |
| SCHEMBL11778076 | 0.74 | CYP3A4 (0.56) | SMN1; SMN2TSHRCYP3A4ALOX15ALDH1A1 | |
| SCHEMBL9629784 | 0.74 | SMN1; SMN2 (0.56) | SMN1; SMN2TSHRCYP3A4ALOX15ALDH1A1 | |
| SCHEMBL11976907 | 0.74 | CSNK2A1 (0.49) | CYP2A6ALOX15ALDH1A1MAPK1HPGD |
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-109912439-A | Method for continuously and rapidly preparing DL-phenylglycine and analogue thereof by using cyanohydrin method | 禄丰天宝磷化工有限公司 | 2019-06-21 | — | — | CN | disclosed |