Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | CASP7 | P55210 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | AVPR1A | P37288 | 4/20 | 0.36 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.35 |
| ▸ | PLD1 | Q13393 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL30745929 | 0.79 | HDAC6 (0.49) | ALDH1A1MAPTCYP2C9HPGDCYP2C19 | |
| SCHEMBL16269503 | 0.77 | GRM1 (0.45) | ALDH1A1MAPTKDM4EAVPR1APLD1 | |
| SCHEMBL7393048 | 0.77 | ALDH1A1 (0.39) | ALDH1A1MAPTCYP2C9CYP2C19HSD17B10 | |
| SCHEMBL30863815 | 0.74 | PLD1 (0.49) | ALDH1A1MAPTCYP2C9HPGDCYP2C19 | |
| SCHEMBL30745927 | 0.74 | CYP2C19 (0.44) | ALDH1A1MAPTCYP2C19KDM4ENPSR1 | |
| Hydrochloric Acid SCHEMBL30745936 | 0.73 | CYP2C19 (0.44) | ALDH1A1MAPTCYP2C19KDM4ENPSR1 | |
| SCHEMBL21552511 | 0.72 | RIPK1 (0.52) | ALDH1A1MAPTCYP2C19KDM4ENPSR1 | |
| SCHEMBL14189196 | 0.71 | CFB (0.43) | ALDH1A1CYP2C9CYP2C19NPSR1KMT2A | |
| SCHEMBL23064491 | 0.71 | ALDH1A1 (0.57) | ALDH1A1MAPTKDM4EHTTRIPK1 | |
| SCHEMBL14443101 | 0.70 | CFB (0.40) | MAPTCYP2C9CYP2C19HSD17B10CYP3A4 |
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-114907338-B | Nitrogen-containing polycyclic condensed ring compound, pharmaceutical composition, preparation method and application thereof | 北京志健金瑞生物医药科技有限公司 | 2024-02-06 | — | — | CN | disclosed |