Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 4/20 | 0.47 |
| ▸ | HTR2B | P41595 | 3/20 | 0.47 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.42 |
| ▸ | HTR3B | O95264 | 1/20 | 0.42 |
| ▸ | HTR3A | P46098 | 1/20 | 0.42 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.42 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.42 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 3/20 | 0.41 |
| ▸ | DRD1 | P21728 | 3/20 | 0.41 |
| ▸ | DRD5 | P21918 | 3/20 | 0.41 |
| ▸ | DRD3 | P35462 | 3/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | BCL2 | P10415 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL927901 | 0.82 | HTR2C (0.48) | HTR2CHTR2BNOTUMHSD17B10HTR3E | |
| SCHEMBL930670 | 0.72 | DRD1 (0.46) | HTR2CHTR2BHTR3EHTR3BHTR3A | |
| SCHEMBL2625807 | 0.69 | NOTUM (0.59) | HTR2CHTR2BNOTUMHSD17B10SRD5A1 | |
| SCHEMBL225918 | 0.68 | HTR2C (0.60) | HTR2CHTR2BDRD2DRD1DRD5 | |
| SCHEMBL31317936 | 0.68 | HTR2C (0.60) | HTR2CHTR2BDRD2DRD1DRD5 | |
| SCHEMBL23975579 | 0.68 | NOTUM (0.58) | HTR2CHTR2BNOTUMHSD17B10SRD5A1 | |
| SCHEMBL4105407 | 0.68 | NOTUM (0.58) | HTR2CHTR2BNOTUMHSD17B10SRD5A1 | |
| SCHEMBL6606952 | 0.68 | SRD5A1 (0.51) | HTR2CHTR2BNOTUMHSD17B10SRD5A1 | |
| SCHEMBL565913 | 0.67 | DRD2 (0.53) | HTR2CHTR2BDRD2DRD1DRD5 | |
| Hydrochloric Acid SCHEMBL3694891 | 0.67 | HTR2C (0.58) | HTR2CHTR2BDRD2DRD1DRD5 |
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-107624113-A | Tetrahydropyridopyrimidines and tetrahydropyridopyridines as inhibitors of HBsAg (HBV surface antigen) and HBV DNA production for the treatment of hepatitis B virus infection | 豪夫迈·罗氏有限公司 | 2018-01-23 | — | — | CN | disclosed |