Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD1 | P21728 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | DPP4 | P27487 | 1/20 | 0.34 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | CCR6 | P51684 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 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 | |
|---|---|---|---|---|
| SCHEMBL16894427 | 0.80 | ALDH1A3 (0.42) | ALDH1A1DPP4CYP2E1CYP3A4CYP2A6 | |
| SCHEMBL16894451 | 0.76 | ALDH1A1 (0.35) | ALDH1A1DPP4CYP2E1CYP3A4CYP2A6 | |
| SCHEMBL125451 | 0.72 | — | — | |
| SCHEMBL27492784 | 0.72 | ALDH1A1 (0.37) | ALDH1A1DPP4CYP2E1CYP3A4CYP2A6 | |
| 2,5-Thiophenenedicarboxaldehyde SCHEMBL178830 | 0.69 | — | — | |
| SCHEMBL30747215 | 0.69 | ALDH1A1 (0.36) | ALDH1A1DPP4CYP2E1CYP3A4CYP2A6 | |
| SCHEMBL4741247 | 0.68 | ALDH1A3 (0.51) | ALDH1A1CYP2C9CYP2C19MEN1LMNA | |
| SCHEMBL9226050 | 0.68 | DAO (0.45) | ALDH1A1DPP4CYP2E1CYP3A4CYP2A6 | |
| SCHEMBL7684431 | 0.68 | MAPT (0.31) | ALDH1A1 | |
| SCHEMBL509618 | 0.68 | GAA (0.42) | ALDH1A1DPP4CYP2C19LMNAKMT2A |
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-117120435-A | ABHD6 antagonists | 小野药品工业株式会社 | 2023-11-24 | — | — | CN | disclosed |