Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | DRD3 | P35462 | 5/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.43 |
| ▸ | KIF18A | Q8NI77 | 1/20 | 0.41 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.41 |
| ▸ | MTOR | P42345 | 1/20 | 0.41 |
| ▸ | PRKDC | P78527 | 1/20 | 0.41 |
| ▸ | KIF11 | P52732 | 2/20 | 0.40 |
| ▸ | HTR7 | P34969 | 2/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.39 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29914669 | 1.00 | DRD2 (0.46) | DRD2MEN1KMT2ADRD3OPRM1 | |
| SCHEMBL27865440 | 1.00 | DRD2 (0.46) | DRD2MEN1KMT2ADRD3OPRM1 | |
| SCHEMBL22964535 | 0.83 | ADRA2C (0.50) | MEN1KMT2APIK3CAMTORPRKDC | |
| SCHEMBL30403552 | 0.82 | NOTUM (0.50) | HTR7 | |
| SCHEMBL26633119 | 0.82 | NOTUM (0.50) | HTR7 | |
| SCHEMBL27848428 | 0.81 | DRD2 (0.43) | DRD2MEN1KMT2ADRD3OPRM1 | |
| SCHEMBL27865378 | 0.81 | DRD3 (0.50) | DRD2MEN1KMT2ADRD3OPRM1 | |
| SCHEMBL2389158 | 0.81 | OPRM1 (0.50) | DRD2MEN1KMT2ADRD3OPRM1 | |
| SCHEMBL27885782 | 0.81 | ADRB1 (0.51) | DRD2MEN1KMT2ALRRK2 | |
| SCHEMBL24680783 | 0.80 | LMNA (0.52) | PIK3CAMTORPRKDC |
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-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 |
| CN-111094300-A | Benzo-heteroaryl derivative, preparation method and application thereof in medicine | 江苏恒瑞医药股份有限公司 | 2020-05-01 | — | — | CN | disclosed |