Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | HRH4 | Q9H3N8 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | HTR3E | A5X5Y0 | 3/20 | 0.42 |
| ▸ | HTR3B | O95264 | 3/20 | 0.42 |
| ▸ | HTR3A | P46098 | 3/20 | 0.42 |
| ▸ | HTR3D | Q70Z44 | 3/20 | 0.42 |
| ▸ | HTR3C | Q8WXA8 | 3/20 | 0.42 |
| ▸ | HTR2C | P28335 | 2/20 | 0.42 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | HTR7 | P34969 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL5205369 | 0.77 | PRKCA (0.46) | KDM4ECYP3A4HSD17B10HRH4ALDH1A1 | |
| SCHEMBL15923396 | 0.72 | KDM4E (0.40) | KDM4EHRH4ALDH1A1HRH3LMNA | |
| SCHEMBL30572289 | 0.71 | IKBKB (0.45) | KDM4ECYP3A4HSD17B10ALDH1A1HTR3E | |
| SCHEMBL4117671 | 0.71 | ALDH1A1 (0.61) | KDM4EALDH1A1ADRB2NPSR1 | |
| SCHEMBL21612953 | 0.70 | PRKD1 (0.37) | KDM4ECYP3A4HSD17B10HRH4ALDH1A1 | |
| SCHEMBL5338538 | 0.70 | ALDH1A1 (0.54) | KDM4ECYP3A4HSD17B10HRH4ALDH1A1 | |
| SCHEMBL18436848 | 0.69 | ADRB2 (0.57) | KDM4ECYP3A4HSD17B10HRH4ALDH1A1 | |
| SCHEMBL15923640 | 0.69 | PKM (0.50) | KDM4EALDH1A1MEN1KMT2ANPSR1 | |
| SCHEMBL27415238 | 0.69 | PRKCA (0.59) | KDM4ECYP3A4HSD17B10ALDH1A1HTR3E | |
| SCHEMBL29225630 | 0.69 | GABRP (0.43) | ALDH1A1CYP1A2TDP1MEN1KMT2A |
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-110612294-B | Human cerebulin ligands and bifunctional compounds comprising same | 阿尔维纳斯运营股份有限公司 | 2024-01-16 | — | — | CN | disclosed |
| CN-117042769-A | Substituted pyrrolopyrimidines and pyrazolopyrimidines as Bruton's Tyrosine Kinase (BTK) degrading agents | 冰洲石生物科技公司 | 2023-11-10 | — | — | CN | disclosed |