Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B3 | P37058 | 6/20 | 0.49 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.37 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.37 |
| ▸ | DRD1 | P21728 | 1/20 | 0.37 |
| ▸ | DRD4 | P21917 | 1/20 | 0.37 |
| ▸ | DRD5 | P21918 | 1/20 | 0.37 |
| ▸ | HRH2 | P25021 | 1/20 | 0.37 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.37 |
| ▸ | HTR1D | P28221 | 1/20 | 0.37 |
| ▸ | HTR1B | P28222 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | HTR1E | P28566 | 1/20 | 0.37 |
| ▸ | HTR7 | P34969 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | HRH1 | P35367 | 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 | |
|---|---|---|---|---|
| SCHEMBL17933755 | 0.78 | MAOA (0.57) | HSD17B3HTR1ACHRM5ADRA2ADRD2 | |
| SCHEMBL12959710 | 0.72 | MEN1 (0.46) | HSD17B3HTR1ACHRM5DRD2ADRA2B | |
| SCHEMBL12655447 | 0.72 | MAOA (0.58) | ADRA2AADRA2BADRA2CHTR2CDRD3 | |
| SCHEMBL20776999 | 0.72 | NOTUM (0.44) | HTR1ACHRM5ADRA2ADRD2ADRA2B | |
| SCHEMBL13864441 | 0.71 | ALDH1A1 (0.47) | HSD17B3ADRA2ADRD2ADRA2BADRA2C | |
| SCHEMBL15761043 | 0.71 | — | — | |
| SCHEMBL21311799 | 0.70 | TSHR (0.35) | HSD17B3COMTALDH1A1TSHRNPC1 | |
| SCHEMBL8019134 | 0.67 | HTR2C (0.46) | HSD17B3HTR1ACHRM5ADRA2ADRD2 | |
| SCHEMBL3772410 | 0.64 | HSD17B3 (0.43) | HSD17B3ADRA2ADRD2ADRA2BADRA2C | |
| SCHEMBL10253628 | 0.64 | HSD17B3 (0.43) | HSD17B3ADRA2ADRD2ADRA2BADRA2C |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3760620-A1 | RECEPTOR ANTAGONIST, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USAGE THEREOF | Beijing Tide Pharmaceutical Co., Ltd. (CN) | 2021-01-06 | — | — | EP | disclosed |
| WO-2019161781-A1 | RECEPTOR ANTAGONIST, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USAGE THEREOF | 北京泰德制药股份有限公司 | 2019-08-29 | — | — | WO | disclosed |