Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | MITF | O75030 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.36 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.36 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.36 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL22879479 | 0.86 | TSHR (0.37) | NPC1MITFRAB9ATSHRDRD2 | |
| SCHEMBL12959710 | 0.78 | MEN1 (0.46) | NPC1MITFRAB9AHTR2ACYP3A4 | |
| SCHEMBL24119438 | 0.75 | MEN1 (0.41) | NPC1MITFRAB9ATSHRHTR2A | |
| SCHEMBL21311999 | 0.72 | MAOA (0.39) | NPC1MITFRAB9ATSHRHTR2A | |
| SCHEMBL22879436 | 0.71 | MPO (0.35) | TSHRHSD17B3 | |
| SCHEMBL21311799 | 0.71 | TSHR (0.35) | NPC1RAB9ATSHRALDH1A1NPSR1 | |
| SCHEMBL21312012 | 0.70 | NOTUM (0.37) | TSHRCYP3A4OPRK1MEN1KMT2A | |
| SCHEMBL21311804 | 0.70 | MEN1 (0.41) | RAB9ACYP3A4MAPK1HTTMEN1 | |
| SCHEMBL23569664 | 0.69 | HRH1 (0.51) | NPC1RAB9ATSHRCYP3A4SLC6A4 | |
| SCHEMBL21020932 | 0.66 | TSHR (0.48) | TSHRCHRM2CHRM1CHRM3MAPK1 |
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 |