Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM4 | P08173 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | MTHFD2 | P13995 | 3/20 | 0.37 |
| ▸ | PDE10A | Q9Y233 | 5/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.36 |
| ▸ | PDE5A | O76074 | 2/20 | 0.35 |
| ▸ | RXRA | P19793 | 1/20 | 0.34 |
| ▸ | RXRB | P28702 | 1/20 | 0.34 |
| ▸ | RXRG | P48443 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL14663062 | 0.82 | ESR2 (0.48) | PDE10A | |
| SCHEMBL14663030 | 0.79 | CHRM4 (0.42) | CHRM4CYP1A2PDE10APDE5A | |
| SCHEMBL14662843 | 0.74 | C5AR1 (0.59) | CYP1A2ALDH1A1 | |
| SCHEMBL15112842 | 0.72 | ESR2 (0.41) | HSP90AA1HSP90AB1 | |
| SCHEMBL867848 | 0.72 | ABHD6 (0.48) | SMN1; SMN2HSP90AA1HSP90AB1ALDH1A1 | |
| SCHEMBL1014080 | 0.72 | GRM5 (0.38) | PDE10ASMN1; SMN2HSP90AA1HSP90AB1ALDH1A1 | |
| SCHEMBL29118094 | 0.71 | ALDH1A1 (0.41) | CHRM4CYP1A2SMN1; SMN2HSP90AA1HSP90AB1 | |
| SCHEMBL31644535 | 0.71 | C5AR1 (0.44) | CHRM4CYP1A2HSP90AA1HSP90AB1 | |
| SCHEMBL29496297 | 0.71 | CHRM4 (0.63) | CHRM4CYP1A2SMN1; SMN2ALDH1A1MAPK1 | |
| SCHEMBL28074610 | 0.70 | ALDH1A1 (0.33) | SMN1; SMN2ALDH1A1MAPK1 |
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-103814027-B | Tetrahydropyrido-pyridine and tetrahydropyrido-pyrimidine compounds and their use as C5A receptor modulators | 诺华股份有限公司 | 2016-07-06 | — | — | CN | disclosed |