Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.42 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | DRD4 | P21917 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL22939896 | 0.96 | SLC18A3 (0.42) | SLC18A3ABCB1CYP2D6CYP2C19KDM4E | |
| SCHEMBL22939895 | 0.96 | SLC18A3 (0.42) | SLC18A3ABCB1CYP2D6CYP2C19KDM4E | |
| SCHEMBL29094501 | 0.84 | SMN1; SMN2 (0.37) | SLC18A3ALDH1A1SIGMAR1 | |
| SCHEMBL29287218 | 0.73 | SLC18A3 (0.39) | SLC18A3ABCB1KDM4EALDH1A1KMT2A | |
| SCHEMBL8139572 | 0.73 | SLC18A3 (0.39) | SLC18A3ABCB1CYP2D6CYP2C19KDM4E | |
| Benzene SCHEMBL29077790 | 0.72 | SLC18A3 (0.42) | SLC18A3ABCB1KDM4EALDH1A1DRD2 | |
| SCHEMBL28151532 | 0.71 | NPC1 (0.45) | ALDH1A1KMT2A | |
| SCHEMBL18527253 | 0.70 | — | — | |
| SCHEMBL22426560 | 0.69 | SLC18A3 (0.36) | SLC18A3KDM4EALDH1A1KMT2ADRD2 | |
| SCHEMBL8250269 | 0.69 | SLC18A3 (0.43) | SLC18A3KDM4EALDH1A1DRD2DRD4 |
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-113200983-A | Compound with pyrrolopyridine structure, preparation method and medical application | 中国药科大学 | 2021-08-03 | — | — | CN | disclosed |