Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.54 |
| ▸ | CTSL | P07711 | 3/20 | 0.51 |
| ▸ | CTSS | P25774 | 3/20 | 0.51 |
| ▸ | CTSB | P07858 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | KYNU | Q16719 | 1/20 | 0.47 |
| ▸ | KLK1 | P06870 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 2/20 | 0.47 |
| ▸ | CTSK | P43235 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL8150285 | 0.92 | TRPM8 (0.58) | TRPM8CTSLCTSSCYP2C9CYP2C19 | |
| SCHEMBL12069024 | 0.92 | TRPM8 (0.58) | TRPM8CTSLCTSSCYP2C9CYP2C19 | |
| SCHEMBL31563025 | 0.89 | ATM (0.61) | TRPM8CTSLCTSSCYP3A4ALDH1A1 | |
| SCHEMBL9501314 | 0.82 | TRPM8 (0.49) | TRPM8CTSLCTSSCTSBALDH1A1 | |
| SCHEMBL10363640 | 0.82 | TRPM8 (0.49) | TRPM8CTSLCTSSCTSBALDH1A1 | |
| SCHEMBL29161404 | 0.81 | ATM (0.65) | TRPM8CTSLCTSSCYP3A4ALDH1A1 | |
| SCHEMBL15317925 | 0.81 | KMT2A (0.47) | TRPM8CYP2C19CYP3A4RAB9AALDH1A1 | |
| SCHEMBL12069022 | 0.81 | KMT2A (0.47) | TRPM8CYP2C19CYP3A4RAB9AALDH1A1 | |
| SCHEMBL15889688 | 0.81 | CTSL (0.68) | TRPM8CTSLCTSSCTSBALDH1A1 | |
| SCHEMBL9830850 | 0.81 | CTSL (0.54) | CTSLCTSSCTSBCYP2C9CYP2C19 |
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-113249417-B | Preparation method of chiral cis-beta-aryl-beta-hydroxy-alpha-amino ester compound | 复旦大学 | 2022-08-19 | — | — | CN | disclosed |
| CN-113249417-A | Preparation method of chiral cis-beta-aryl-beta-hydroxy-alpha-amino ester compound | 复旦大学 | 2021-08-13 | — | — | CN | disclosed |