Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.63 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.63 |
| ▸ | MBTD1 | Q05BQ5 | 1/20 | 0.57 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.57 |
| ▸ | PDE2A | O00408 | 1/20 | 0.50 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.49 |
| ▸ | SLC18A3 | Q16572 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 2/20 | 0.45 |
| ▸ | MAOB | P27338 | 2/20 | 0.45 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | DRD2 | P14416 | 1/20 | 0.45 |
| ▸ | DRD1 | P21728 | 1/20 | 0.45 |
| ▸ | DRD4 | P21917 | 1/20 | 0.45 |
| ▸ | DRD5 | P21918 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL29278105 | 1.00 | SMN1; SMN2 (0.63) | SMN1; SMN2TDP1MBTD1L3MBTL3PDE2A | |
| SCHEMBL29278104 | 0.91 | MBTD1 (0.59) | SMN1; SMN2TDP1MBTD1L3MBTL3PDE2A | |
| SCHEMBL30762169 | 0.91 | MBTD1 (0.59) | SMN1; SMN2TDP1MBTD1L3MBTL3PDE2A | |
| SCHEMBL2227086 | 0.82 | CYP2D6 (0.66) | CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL3023682 | 0.82 | CYP2D6 (0.66) | CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL994346 | 0.82 | CYP2D6 (0.66) | CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1 | |
| Hydrochloric Acid SCHEMBL4221752 | 0.80 | CYP2D6 (0.64) | CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1 | |
| Hydrochloric Acid SCHEMBL5266695 | 0.80 | CYP2D6 (0.64) | CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1 | |
| Hydrochloric Acid SCHEMBL5266699 | 0.80 | CYP2D6 (0.64) | CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1 | |
| Methane SCHEMBL692994 | 0.80 | CYP2D6 (0.64) | CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1 |
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-117402081-A | Aryl substituted amine derivative, preparation method and application thereof | 南京医科大学 | 2024-01-16 | — | — | CN | disclosed |