Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 1/20 | 0.60 |
| ▸ | TMEM97 | Q5BJF2 | 14/20 | 0.53 |
| ▸ | SIGMAR1 | Q99720 | 14/20 | 0.53 |
| ▸ | KDR | P35968 | 1/20 | 0.48 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.48 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.48 |
| ▸ | HRH2 | P25021 | 3/20 | 0.48 |
| ▸ | HTR2C | P28335 | 3/20 | 0.48 |
| ▸ | HRH1 | P35367 | 3/20 | 0.48 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.48 |
| ▸ | HTR1A | P08908 | 2/20 | 0.48 |
| ▸ | HTR2A | P28223 | 2/20 | 0.48 |
| ▸ | HTR2B | P41595 | 2/20 | 0.48 |
| ▸ | DRD3 | P35462 | 2/20 | 0.48 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.48 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.48 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.48 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.48 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.48 |
| ▸ | HTR5A | P47898 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL11091799 | 1.00 | DHFR (0.60) | DHFRTMEM97SIGMAR1KDRADRA2A | |
| SCHEMBL16281230 | 0.87 | DHFR (0.59) | DHFRTMEM97SIGMAR1KDRADRA2A | |
| SCHEMBL16560723 | 0.85 | DHFR (0.57) | DHFRTMEM97SIGMAR1KDRADRA2A | |
| SCHEMBL20609566 | 0.84 | DHFR (0.56) | DHFRTMEM97SIGMAR1KDRADRA2A | |
| SCHEMBL11830404 | 0.84 | PTGS1 (0.66) | DHFRTMEM97SIGMAR1KDRADRA2A | |
| SCHEMBL14090715 | 0.84 | DHFR (0.56) | DHFRTMEM97SIGMAR1KDRADRA2A | |
| SCHEMBL23854680 | 0.84 | DHFR (0.60) | DHFRTMEM97SIGMAR1KDRADRA2A | |
| SCHEMBL25167969 | 0.84 | DHFR (0.56) | DHFRTMEM97SIGMAR1KDRADRA2A | |
| SCHEMBL11082438 | 0.83 | PTGS1 (0.46) | DHFRMEN1KMT2ANPSR1 | |
| SCHEMBL11091008 | 0.83 | KMT2A (0.54) | DHFRPTGDR2MEN1KMT2A |
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-115297861-B | Compounds and uses thereof | 福宏治疗公司 | 2024-07-12 | — | — | CN | disclosed |