Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.55 |
| ▸ | NPC1 | O15118 | 3/20 | 0.55 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.53 |
| ▸ | SRC | P12931 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | MAOA | P21397 | 1/20 | 0.50 |
| ▸ | ACHE | P22303 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.49 |
| ▸ | HTR2B | P41595 | 2/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.49 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.49 |
| ▸ | HTR2A | P28223 | 1/20 | 0.49 |
| ▸ | SCN1A | P35498 | 1/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.49 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL11274158 | 0.83 | ALDH1A1 (0.62) | ALDH1A1KDM4ENPC1FGFR1SRC | |
| SCHEMBL28868182 | 0.78 | SIGMAR1 (0.54) | ALDH1A1KDM4ESIGMAR1CYP1A2KCNH2 | |
| SCHEMBL14570561 | 0.78 | NPC1 (0.65) | ALDH1A1KDM4ENPC1MEN1KMT2A | |
| SCHEMBL6386440 | 0.78 | KDM4E (0.55) | ALDH1A1KDM4ENPC1FGFR1SRC | |
| SCHEMBL4420934 | 0.77 | NPC1 (0.65) | ALDH1A1KDM4ENPC1MEN1KMT2A | |
| SCHEMBL21642566 | 0.77 | KDM4E (0.65) | ALDH1A1KDM4ENPC1FGFR1SRC | |
| SCHEMBL22529608 | 0.76 | MEN1 (0.56) | ALDH1A1KDM4ENPC1FGFR1SRC | |
| SCHEMBL22529582 | 0.76 | MEN1 (0.56) | ALDH1A1KDM4ENPC1FGFR1SRC | |
| SCHEMBL14149490 | 0.75 | NPC1 (0.62) | ALDH1A1KDM4ENPC1MEN1KMT2A | |
| SCHEMBL30427229 | 0.75 | MAPT (0.53) | ALDH1A1KDM4ENPC1SRCMEN1 |
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-115448881-A | Heteroaryl compound, preparation method and application thereof in medicine | 江苏恒瑞医药股份有限公司 | 2022-12-09 | — | — | CN | disclosed |