Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 2/20 | 0.35 |
| ▸ | C1R | P00736 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | GMNN | O75496 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | KDM1A | O60341 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2207696 | 0.85 | TAAR1 (0.39) | CYP1A2CYP2D6CYP2C9CYP2C19TAAR1 | |
| SCHEMBL28957100 | 0.81 | TAAR1 (0.46) | CYP1A2CYP2D6CYP2C9CYP2C19TAAR1 | |
| SCHEMBL19385851 | 0.79 | ALDH1A1 (0.40) | AKR1B1TAAR1IDO1KMT2AKDM4E | |
| SCHEMBL18323989 | 0.79 | GAA (0.43) | KMT2AKDM4ELMNA | |
| SCHEMBL29131360 | 0.77 | MTNR1A (0.36) | CYP1A2CYP2D6CYP2C9CYP2C19TAAR1 | |
| SCHEMBL30762345 | 0.77 | MTNR1A (0.36) | CYP1A2CYP2D6CYP2C9CYP2C19TAAR1 | |
| SCHEMBL3236978 | 0.76 | CES2 (0.46) | CYP1A2CYP2C19AKR1B1MEN1KMT2A | |
| SCHEMBL9640656 | 0.76 | CES2 (0.46) | CYP1A2CYP2C19AKR1B1MEN1KMT2A | |
| SCHEMBL1195453 | 0.72 | CYP2C19 (0.49) | CYP2C19KMT2AKDM4E | |
| SCHEMBL30561548 | 0.71 | AKR1B1 (0.61) | CYP1A2CYP2D6CYP2C9CYP2C19AKR1B1 |
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-117303992-A | Preparation method of polyfunctional group substituted chiral sulfoxide compound | 厦门大学 | 2023-12-29 | — | — | CN | disclosed |