Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 1/20 | 0.52 |
| ▸ | HTR2C | P28335 | 1/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.46 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.46 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.46 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.44 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.43 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | DRD4 | P21917 | 1/20 | 0.42 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2845681 | 0.89 | HTR2C (0.61) | HTR2CATMLMNANPC1MAPT | |
| SCHEMBL981641 | 0.85 | NOTUM (0.60) | DRD2LMNANPC1MAPTHTT | |
| SCHEMBL27872558 | 0.84 | DRD2 (0.57) | DRD2HTR2CATMLMNANPC1 | |
| SCHEMBL29962960 | 0.84 | DRD2 (0.52) | DRD2HTR2CLMNANPC1MAPT | |
| SCHEMBL3318846 | 0.84 | DRD2 (0.52) | DRD2HTR2CLMNANPC1MAPT | |
| SCHEMBL3735431 | 0.83 | DRD2 (0.56) | DRD2HTR2CATMLMNANPC1 | |
| SCHEMBL2851575 | 0.82 | RAB9A (0.64) | DRD2HTR2CATMNPC1MAPT | |
| SCHEMBL7754766 | 0.81 | DRD2 (0.55) | DRD2HTR2CLMNANPC1MAPT | |
| SCHEMBL7267829 | 0.79 | DRD2 (0.44) | DRD2HTR2CATMNPC1RAB9A | |
| SCHEMBL2203452 | 0.79 | DRD2 (0.58) | DRD2LMNANPC1MAPTHTT |
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-115141179-B | Novel benzoheterocyclyl derivative, preparation method thereof and application thereof in medicine | 江苏恒瑞医药股份有限公司 | 2024-09-13 | — | — | CN | disclosed |
| CN-115141179-A | Novel benzo heterocyclic derivatives, preparation method and application thereof in medicine | 江苏恒瑞医药股份有限公司 | 2022-10-04 | — | — | CN | disclosed |