Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
| ▸ | HTR2B | P41595 | 1/20 | 0.46 |
| ▸ | ACMSD | Q8TDX5 | 2/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | BACE1 | P56817 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | APP | P05067 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | KMO | O15229 | 1/20 | 0.39 |
| ▸ | HTR1D | P28221 | 1/20 | 0.38 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL24746226 | 0.94 | HTR2A (0.47) | HTR2AHTR2CHTR2BACMSDSLC6A2 | |
| SCHEMBL12188754 | 0.90 | HTR2C (0.50) | HTR2AHTR2CHTR2BSLC6A2SLC6A4 | |
| SCHEMBL11933082 | 0.85 | ACMSD (0.41) | ACMSDSLC6A2SLC6A4SLC6A3BACE1 | |
| SCHEMBL13499937 | 0.82 | SLC6A2 (0.41) | ACMSDSLC6A2SLC6A4SLC6A3BACE1 | |
| SCHEMBL6388479 | 0.82 | ACMSD (0.44) | HTR2AHTR2CHTR2BACMSDBACE1 | |
| SCHEMBL127034 | 0.82 | ACMSD (0.44) | HTR2AHTR2CHTR2BACMSDBACE1 | |
| SCHEMBL2708481 | 0.81 | HTR2C (0.54) | HTR2AHTR2CHTR2BSLC6A2SLC6A4 | |
| SCHEMBL22459697 | 0.81 | CYP3A4 (0.44) | ACMSDCYP3A4CYP2C9APPPDK2 | |
| SCHEMBL14046655 | 0.80 | QDPR (0.56) | HTR2AHTR2CHTR2BSLC6A2SLC6A4 | |
| SCHEMBL29186871 | 0.80 | ESR2 (0.49) | HTR2AHTR2CHTR2BSLC6A2SLC6A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3246317-A1 | BTK INHIBITOR | Hubei Bio-Pharmaceutical Industrial Technological Institute Inc. (CN) | 2017-11-22 | — | — | EP | disclosed |