Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | ACP3 | P15309 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9692988 | 0.89 | CYP2C19 (0.47) | ALDH1A1CYP2C19CYP1A2CYP2C9KDM4E | |
| SCHEMBL7385565 | 0.87 | ALDH1A1 (0.42) | ALDH1A1CYP2C19CYP1A2CYP2C9KDM4E | |
| SCHEMBL7381122 | 0.87 | ALDH1A1 (0.42) | ALDH1A1CYP2C19CYP1A2CYP2C9KDM4E | |
| SCHEMBL9352587 | 0.85 | CYP2C19 (0.54) | ALDH1A1CYP2C19CYP1A2CYP2C9KDM4E | |
| SCHEMBL8957571 | 0.84 | KMT2A (0.45) | ALDH1A1CYP2C19CYP1A2CYP2C9KDM4E | |
| SCHEMBL7384532 | 0.83 | ALDH1A1 (0.44) | ALDH1A1CYP2C19CYP1A2CYP2C9GAA | |
| SCHEMBL10568604 | 0.81 | HTR1B (0.47) | ALDH1A1CYP2C19CYP1A2CYP2C9SLC6A4 | |
| Hydrochloric Acid SCHEMBL9631831 | 0.79 | HTR1B (0.46) | ALDH1A1CYP2C19CYP1A2CYP2C9SLC6A4 | |
| SCHEMBL6301621 | 0.79 | ALDH1A1 (0.44) | ALDH1A1CYP2C19CYP1A2CYP2C9KDM4E | |
| SCHEMBL467398 | 0.79 | ALDH1A1 (0.41) | ALDH1A1CYP2C19CYP1A2CYP2C9KDM4E |
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-114957304-B | Chiral 1, 5-diborane compound and synthetic method and application thereof | 浙江大学 | 2024-06-21 | — | — | CN | disclosed |
| CN-114957304-A | Chiral 1, 5-diborane compound and synthesis method and application thereof | 浙江大学 | 2022-08-30 | — | — | CN | disclosed |