Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.51 |
| ▸ | USP2 | O75604 | 2/20 | 0.51 |
| ▸ | HPGD | P15428 | 2/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | DRD3 | P35462 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL21222876 | 1.00 | DRD2 (0.55) | DRD2ALDH1A1SMN1; SMN2CYP2C9USP2 | |
| SCHEMBL9723025 | 0.82 | DRD2 (0.68) | DRD2ALDH1A1HSD17B10DRD3KMT2A | |
| SCHEMBL4572930 | 0.82 | ADRA2C (0.62) | DRD2ALDH1A1SMN1; SMN2CYP2C9USP2 | |
| SCHEMBL9018985 | 0.82 | SMN1; SMN2 (0.59) | ALDH1A1SMN1; SMN2CYP2C9USP2HPGD | |
| SCHEMBL2156435 | 0.82 | ALDH1A1 (0.67) | ALDH1A1SMN1; SMN2CYP2C9CYP2C19NPSR1 | |
| SCHEMBL1905445 | 0.81 | MAPT (0.48) | ALDH1A1SMN1; SMN2CYP2C9NPSR1NPC1 | |
| SCHEMBL20887238 | 0.81 | NPY5R (0.57) | ALDH1A1SMN1; SMN2CYP2C9USP2HPGD | |
| SCHEMBL20887246 | 0.81 | SMN1; SMN2 (0.51) | DRD2ALDH1A1SMN1; SMN2CYP2C9USP2 | |
| SCHEMBL1559291 | 0.81 | NPY5R (0.56) | DRD2ALDH1A1SMN1; SMN2CYP2C9USP2 | |
| SCHEMBL2453453 | 0.80 | MAPT (0.59) | ALDH1A1SMN1; SMN2CYP2C9NPSR1NPC1 |
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-111094300-B | Benzo-heteroaryl derivative, preparation method and application thereof in medicine | 江苏恒瑞医药股份有限公司 | 2022-09-16 | — | — | CN | disclosed |