Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.32 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28880383 | 1.00 | HTT (0.35) | HTTCYP2C9CYP2C19CA12CA1 | |
| SCHEMBL11026259 | 0.85 | HTT (0.44) | HTTCYP2C9CYP2C19HCAR2ALDH1A1 | |
| SCHEMBL28880508 | 0.81 | HTT (0.39) | HTTCYP2C9CYP2C19MEN1KMT2A | |
| SCHEMBL28880510 | 0.81 | HTT (0.39) | HTTCYP2C9CYP2C19MEN1KMT2A | |
| SCHEMBL28880397 | 0.78 | NPC1 (0.35) | HTTCYP2C9CYP2C19MEN1KMT2A | |
| SCHEMBL28880344 | 0.77 | L3MBTL1 (0.35) | LMNAALDH1A1 | |
| SCHEMBL28880345 | 0.77 | L3MBTL1 (0.35) | LMNAALDH1A1 | |
| SCHEMBL29163978 | 0.77 | TAS2R14 (0.39) | KMT2A | |
| SCHEMBL29163979 | 0.77 | TAS2R14 (0.39) | KMT2A | |
| SCHEMBL669484 | 0.76 | ALDH1A1 (0.44) | KMT2AALDH1A1MAPT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117940411-A | Quinazoline derivative, or preparation method and application thereof | 浙江海正药业股份有限公司 | 2024-04-26 | — | — | CN | disclosed |
| CN-117304182-A | Compound with pyrimidohexa ring structure, pharmaceutical composition containing same and application of compound | 上海海和药物研究开发股份有限公司 | 2023-12-29 | — | — | CN | disclosed |
| CN-116546985-A | Pyridopyrimidine derivative and preparation method and application thereof | 浙江海正药业股份有限公司 | 2023-08-04 | — | — | CN | disclosed |
| CN-115135315-A | SOS1 inhibitors | 米拉蒂治疗股份有限公司 | 2022-09-30 | — | — | CN | disclosed |