Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | MAPT | P10636 | 3/20 | 0.56 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.42 |
| ▸ | HTR2A | P28223 | 2/20 | 0.42 |
| ▸ | HTR2C | P28335 | 2/20 | 0.42 |
| ▸ | HTR2B | P41595 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HBB | P68871 | 1/20 | 0.40 |
| ▸ | PGR | P06401 | 1/20 | 0.38 |
| ▸ | HRH1 | P35367 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6234595 | 0.78 | SIGMAR1 (0.41) | ALDH1A1MAPTSIGMAR1HTR2AKMT2A | |
| SCHEMBL24665113 | 0.78 | HTR2A (0.45) | ALDH1A1MAPTSIGMAR1HTR2AHTR2C | |
| SCHEMBL23316500 | 0.78 | SIGMAR1 (0.41) | ALDH1A1MAPTSIGMAR1HTR2AKMT2A | |
| SCHEMBL27492616 | 0.74 | SIGMAR1 (0.39) | ALDH1A1MAPTSIGMAR1SMN1; SMN2KMT2A | |
| SCHEMBL30259859 | 0.74 | SIGMAR1 (0.39) | ALDH1A1MAPTSIGMAR1HTR2ASMN1; SMN2 | |
| SCHEMBL20851243 | 0.71 | ALDH1A1 (0.33) | ALDH1A1MAPTCHRNA7KDM4E | |
| SCHEMBL11274853 | 0.71 | CYP11B2 (0.36) | ALDH1A1MAPTCHRNA7HTR2AHTR2C | |
| SCHEMBL8707641 | 0.70 | HTR1A (0.40) | HTR2AHTR2CHTR2BTSHRHRH1 | |
| SCHEMBL5753005 | 0.69 | MAPT (0.44) | ALDH1A1MAPTSIGMAR1SMN1; SMN2KMT2A | |
| SCHEMBL14555189 | 0.69 | HTR2A (0.50) | ALDH1A1MAPTHTR2AHTR2CHTR2B |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019158019-A1 | PYRIMIDINE-FUSED CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 上海青煜医药科技有限公司 | 2019-08-22 | — | — | WO | disclosed |