Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.57 |
| ▸ | CA7 | P43166 | 3/20 | 0.49 |
| ▸ | CA2 | P00918 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | PLAU | P00749 | 1/20 | 0.48 |
| ▸ | HPN | P05981 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CTSL | P07711 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 3/20 | 0.44 |
| ▸ | CA12 | O43570 | 2/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8894760 | 0.78 | ALDH1A1 (0.48) | ALDH1A1CA7CA2RAB9APLAU | |
| SCHEMBL28625510 | 0.77 | ALDH1A1 (0.71) | ALDH1A1CA7CA2POLBPLAU | |
| SCHEMBL10779597 | 0.75 | ALDH1A1 (0.62) | ALDH1A1CA7CA2POLBPLAU | |
| SCHEMBL30992139 | 0.75 | PLA2G2C (0.45) | ALDH1A1CA7CA2RAB9APOLB | |
| SCHEMBL14544528 | 0.74 | ALDH1A1 (0.67) | ALDH1A1CA7CA2POLBPLAU | |
| SCHEMBL8895460 | 0.74 | UTS2R (0.44) | ALDH1A1CA2PLAUHPNCYP2C19 | |
| SCHEMBL28615849 | 0.74 | ALDH1A1 (0.75) | ALDH1A1CA7CA2POLBPLAU | |
| SCHEMBL10986377 | 0.73 | TRPA1 (0.50) | ALDH1A1CA7POLBTSHRCA9 | |
| SCHEMBL8895380 | 0.73 | IDO1 (0.50) | ALDH1A1RAB9APOLBCYP2C19CYP1A2 | |
| SCHEMBL8895014 | 0.73 | UTS2R (0.56) | ALDH1A1CYP2C19CYP3A4CYP1A2CYP2C9 |
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-113105374-B | Method for synthesizing alkylamine derivative | 西湖大学 | 2022-10-11 | — | — | CN | disclosed |
| CN-113105374-A | Method for synthesizing alkylamine derivative | 西湖大学 | 2021-07-13 | — | — | CN | disclosed |