Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | EIF4E | P06730 | 7/20 | 0.39 |
| ▸ | CDC7 | O00311 | 1/20 | 0.37 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.37 |
| ▸ | TRPM4 | Q8TD43 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | F2RL1 | P55085 | 1/20 | 0.33 |
| ▸ | HTR5A | P47898 | 1/20 | 0.33 |
| ▸ | DHODH | Q02127 | 1/20 | 0.33 |
| ▸ | KDM6B | O15054 | 1/20 | 0.33 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.33 |
| ▸ | TUBB | P07437 | 1/20 | 0.33 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.33 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.33 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.33 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.33 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.33 |
| ▸ | TUBB2A | Q13885 | 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 | |
|---|---|---|---|---|
| SCHEMBL16237522 | 0.89 | HDAC3 (0.36) | HDAC3HDAC1HDAC6ADORA2AF2RL1 | |
| SCHEMBL15516071 | 0.89 | HDAC3 (0.41) | HDAC3HDAC1HDAC6EIF4ECDC7 | |
| SCHEMBL17064231 | 0.86 | KMT2A (0.40) | HDAC3HDAC1HDAC6TRPM4ADORA2A | |
| SCHEMBL19259491 | 0.85 | HDAC3 (0.43) | HDAC3HDAC1HDAC6EIF4ECDC7 | |
| SCHEMBL16237698 | 0.84 | ADORA2A (0.33) | HDAC3HDAC1HDAC6EIF4EADORA2A | |
| SCHEMBL15573819 | 0.84 | EIF4E (0.39) | HDAC3HDAC1HDAC6EIF4ECDC7 | |
| SCHEMBL16237622 | 0.82 | KMO (0.41) | EIF4ETRPM4ADORA2A | |
| SCHEMBL16237173 | 0.82 | CTSA (0.41) | HDAC3HDAC1HDAC6EIF4ETRPM4 | |
| SCHEMBL16236965 | 0.81 | HDAC3 (0.37) | HDAC3HDAC1HDAC6EIF4ECDC7 | |
| SCHEMBL16237062 | 0.80 | ECE1 (0.34) | EIF4EADORA2ADHODH |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3732177-A1 | DIHYDROPYRIMIDINYLTHIAZOLE FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION | F. Hoffmann-La Roche AG (CH) | 2020-11-04 | — | — | EP | disclosed |
| 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 |
| EP-2997032-A1 | 6-BRIDGED HETEROARYLDIHYDROPYRIMIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION | F. Hoffmann-La Roche AG (CH) | 2016-03-23 | — | — | EP | disclosed |
| WO-2014184328-A1 | 6-BRIDGED HETEROARYLDIHYDROPYRIMIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION | F. HOFFMANN-LA ROCHE AG (CH) | 2014-11-20 | — | — | WO | disclosed |