Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 3/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL17080016 | 1.00 | ALDH1A1 (0.49) | ALDH1A1HPGDCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL16178892 | 0.95 | BRD9 (0.46) | ALDH1A1HPGDCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL12445149 | 0.87 | ALDH1A1 (0.49) | ALDH1A1HPGDCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL16542450 | 0.85 | ALDH1A1 (0.53) | ALDH1A1HPGDCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL26920629 | 0.82 | SLC6A2 (0.50) | ALDH1A1HPGDCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL6523537 | 0.82 | ALDH1A1 (0.50) | ALDH1A1HPGDCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL3551615 | 0.82 | ALDH1A1 (0.50) | ALDH1A1HPGDCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7806456 | 0.81 | BRD9 (0.53) | ALDH1A1HPGDCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7806569 | 0.81 | SLC6A2 (0.49) | ALDH1A1HPGDCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL5256214 | 0.81 | ALDH1A1 (0.53) | ALDH1A1HPGDCYP1A2CYP3A4CYP2D6 |
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-116262749-A | Aromatic heterocycle substituted compound and preparation method and application thereof | 上海翊石医药科技有限公司 | 2023-06-16 | — | — | CN | disclosed |