Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP8 | P22894 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | GSK3B | P49841 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.45 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA4 | P22748 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL329187 | 0.82 | KDM4E (0.51) | MMP8RAB9ACYP3A4NPC1CYP1A2 | |
| SCHEMBL28704036 | 0.79 | KDM4E (0.53) | MMP8RAB9ACYP3A4NPC1CYP1A2 | |
| SCHEMBL8758916 | 0.77 | RAB9A (0.46) | MMP8RAB9ACYP3A4NPC1CYP1A2 | |
| SCHEMBL363022 | 0.74 | HDAC3 (0.46) | MMP8RAB9ACYP3A4CYP1A2CYP2D6 | |
| SCHEMBL2622223 | 0.74 | IDO1 (0.55) | RAB9ACYP3A4NPC1CYP1A2CYP2D6 | |
| SCHEMBL31303189 | 0.74 | IDO1 (0.55) | RAB9ACYP3A4NPC1CYP1A2CYP2D6 | |
| SCHEMBL1878848 | 0.71 | KDM4E (0.47) | MMP8RAB9ACYP3A4NPC1CYP1A2 | |
| SCHEMBL27507947 | 0.71 | KDM4E (0.47) | MMP8RAB9ACYP3A4NPC1CYP1A2 | |
| SCHEMBL660493 | 0.71 | KDM4E (0.47) | MMP8RAB9ACYP3A4NPC1CYP1A2 | |
| Trifluoroacetic Acid SCHEMBL28969352 | 0.71 | KDM4E (0.51) | MMP8RAB9ACYP3A4NPC1CYP1A2 |
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-118125950-A | Chiral alpha-amino acid derivative and preparation method and application thereof | 四川大学 | 2024-06-04 | — | — | CN | disclosed |