Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYR | P14679 | 2/20 | 0.52 |
| ▸ | DPP4 | P27487 | 10/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4697922 | 0.79 | DPP4 (0.55) | DPP4HTR2AHTR2CSLC6A4MAOB | |
| SCHEMBL10586299 | 0.79 | TYR (0.56) | TYRHTR2AHTR2CSLC6A4MAOB | |
| SCHEMBL15155703 | 0.79 | GABRR1 (0.45) | DPP4HDAC1HDAC8 | |
| SCHEMBL9987227 | 0.78 | DPP4 (0.59) | DPP4 | |
| Hydrochloric Acid SCHEMBL13730064 | 0.78 | DPP4 (0.53) | DPP4HTR2AHTR2CSLC6A4 | |
| SCHEMBL28894195 | 0.77 | HDAC1 (0.38) | TYRDPP4HDAC1HDAC8 | |
| Phosphoric Acid SCHEMBL13730179 | 0.74 | DPP4 (0.46) | DPP4HDAC1HDAC8SLC6A4 | |
| SCHEMBL10586668 | 0.73 | TAAR1 (0.52) | TYRSLC6A4MAOB | |
| Phosphoric Acid SCHEMBL14128619 | 0.73 | DPP4 (0.45) | DPP4SLC6A4 | |
| SCHEMBL22279689 | 0.73 | TYR (0.42) | TYRDPP4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1999045008-A1 | 3-[4-(4-CYANOPHENYL)THIAZOL-2-Y)]-1-(1H-1,2,4-TRIAZOL-1-YL)-BUTAN-2-OL DERIVATIVES HAVING ANTIFUNGAL ACTIVITY | F. HOFFMANN-LA ROCHE AG (CH) | 1999-09-10 | — | — | WO | claimed |
| EP-1280795-A2 | N-SUBSTITUTED CARBAMOYLOXYALKYL-AZOLIUM DERIVATIVES | Basilea Pharmaceutica AG (CH) | 2003-02-05 | — | — | EP | disclosed |
| WO-2001032652-A2 | N-SUBSTITUTED CARBAMOYLOXYALKYL-AZOLIUM DERIVATIVES | BASILEA PHARMACEUTICA AG (CH) | 2001-05-10 | — | — | WO | disclosed |