Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRC | P12931 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.31 |
| ▸ | NQO1 | P15559 | 1/20 | 0.31 |
| ▸ | POR | P16435 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28132393 | 0.82 | CYP2D6 (0.44) | CYP1A2CYP2D6ALDH1A1CYP3A4CYP2C19 | |
| SCHEMBL28132407 | 0.71 | KMO (0.57) | CYP1A2CYP2D6ALDH1A1CYP3A4CYP2C19 | |
| SCHEMBL9720728 | 0.71 | MAOA (0.44) | SRCCYP1A2NQO1PORHSD17B10 | |
| SCHEMBL12164836 | 0.69 | NPC1 (0.44) | CYP1A2CYP2D6ALDH1A1CYP3A4HSD17B10 | |
| SCHEMBL28132401 | 0.66 | HTR2B (0.47) | CYP1A2CYP2C19HSD17B10HPGDALOX15 | |
| SCHEMBL20247859 | 0.66 | MEN1 (0.36) | SRCNQO1POR | |
| SCHEMBL19116068 | 0.65 | ADORA1 (0.40) | ALDH1A1 | |
| SCHEMBL13180289 | 0.64 | SRC (0.65) | SRCALDH1A1TSHR | |
| SCHEMBL304034 | 0.64 | ALDH1A1 (0.41) | ALDH1A1HPGD | |
| SCHEMBL15006764 | 0.64 | ASIC3 (0.53) | CYP1A2ALDH1A1CYP2C19HPGDTSHR |
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-106496130-B | A kind of methyl ketone derivatives and the preparation method and application thereof | 苏州大学 | 2019-09-20 | — | — | CN | disclosed |
| CN-106496130-A | A kind of methyl ketone derivatives and preparation method and application | 苏州大学 | 2017-03-15 | — | — | CN | disclosed |