Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 2/20 | 0.41 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.41 |
| ▸ | DHODH | Q02127 | 8/20 | 0.39 |
| ▸ | ECE1 | P42892 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | DHFR | P00374 | 1/20 | 0.35 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.35 |
| ▸ | CTSA | P10619 | 3/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL18074580 | 0.89 | CTSA (0.41) | HCRTR1HCRTR2DHODHECE1KMT2A | |
| SCHEMBL17064250 | 0.87 | HCRTR1 (0.39) | HCRTR1HCRTR2DHODHECE1POLB | |
| SCHEMBL19259491 | 0.79 | HDAC3 (0.43) | DHODHECE1CTSA | |
| SCHEMBL17479069 | 0.79 | HCRTR1 (0.39) | HCRTR1HCRTR2ECE1KMT2ACTSA | |
| SCHEMBL16237675 | 0.75 | ADORA2A (0.39) | HCRTR1HCRTR2DHODHECE1KMT2A | |
| SCHEMBL29014181 | 0.74 | HCRTR1 (0.51) | HCRTR1HCRTR2ECE1KMT2ACTSA | |
| SCHEMBL16237173 | 0.74 | CTSA (0.41) | HCRTR1HCRTR2DHODHECE1CTSA | |
| SCHEMBL16237062 | 0.74 | ECE1 (0.34) | HCRTR1HCRTR2DHODHECE1CTSA | |
| SCHEMBL17479130 | 0.69 | CDC7 (0.49) | POLBMAPT | |
| SCHEMBL15515454 | 0.68 | CDC7 (0.43) | DHODHECE1MAPTCTSAADORA1 |
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-3416966-A1 | PROCESS FOR THE PREPARATION OF 4-PHENYL-5-ALKOXYCARBONYL-2-THIAZOL-2-YL-1,4-DIHYDROPYRIMIDIN-6-YL]METHYL]-3-OXO-5,6,8,8A-TETRAHYDRO-1H-IMIDAZO[1,5-A]PYRAZIN-2-YL]-CARBOXYLIC ACID | H. Hoffnabb-La Roche Ag (CH) | 2018-12-26 | — | — | EP | disclosed |
| WO-2017140750-A1 | PROCESS FOR THE PREPARATION OF 4-PHENYL-5-ALKOXYCARBONYL-2-THIAZOL-2-YL-1,4-DIHYDROPYRIMIDIN-6-YL]METHYL]-3-OXO-5,6,8,8A-TETRAHYDRO-1H-IMIDAZO[1,5-A]PYRAZIN-2-YL]-CARBOXYLIC ACID | F. HOFFMANN-LA ROCHE AG (CH) | 2017-08-24 | — | — | WO | disclosed |