Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.48 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.46 |
| ▸ | RARB | P10826 | 2/20 | 0.44 |
| ▸ | RARA | P10276 | 1/20 | 0.44 |
| ▸ | RARG | P13631 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 2/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.44 |
| ▸ | TACR2 | P21452 | 2/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | SHBG | P04278 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.44 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28114379 | 0.98 | HTR2A (0.52) | HTR2ASIGMAR1RARBRARARARG | |
| SCHEMBL24454689 | 0.98 | HTR2A (0.52) | HTR2ASIGMAR1RARBRARARARG | |
| SCHEMBL530150 | 0.86 | PNMT (0.45) | SIGMAR1TP53HSD17B10GLASMN1; SMN2 | |
| SCHEMBL14402440 | 0.85 | HTR2A (0.48) | HTR2ASIGMAR1RARBRARARARG | |
| SCHEMBL7764845 | 0.85 | RARB (0.59) | HTR2ARARBRARARARGESR1 | |
| Ammonia Solution, Strong SCHEMBL6341561 | 0.85 | PNMT (0.44) | SIGMAR1TP53HSD17B10GLASMN1; SMN2 | |
| SCHEMBL3163099 | 0.85 | RARB (0.49) | HTR2ASIGMAR1RARBRARARARG | |
| SCHEMBL8455569 | 0.84 | HTR2A (0.40) | HTR2ASIGMAR1RARBRARARARG | |
| SCHEMBL8455577 | 0.84 | HTR2A (0.40) | HTR2ASIGMAR1RARBRARARARG | |
| SCHEMBL18647948 | 0.84 | HTR2A (0.52) | HTR2ASIGMAR1RARBRARARARG |
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-106232582-A | Aryl and heteroaryl ether compound as ROR gamma modulators | 格兰马克药品股份有限公司 | 2016-12-14 | — | — | CN | disclosed |