Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDC7 | O00311 | 2/20 | 0.46 |
| ▸ | DBF4 | Q9UBU7 | 2/20 | 0.46 |
| ▸ | GRM6 | O15303 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | HPGD | P15428 | 4/20 | 0.40 |
| ▸ | MAPT | P10636 | 5/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | DHODH | Q02127 | 2/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | PDE2A | O00408 | 1/20 | 0.37 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | ATM | Q13315 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL17479130 | 0.88 | CDC7 (0.49) | CDC7DBF4GRM6ALDH1A1HPGD | |
| SCHEMBL17064231 | 0.86 | KMT2A (0.40) | ALDH1A1HPGDMAPTKDM4ERAB9A | |
| SCHEMBL15516071 | 0.78 | HDAC3 (0.41) | CDC7DBF4MAPTKCNH2 | |
| SCHEMBL16237173 | 0.73 | CTSA (0.41) | DHODH | |
| SCHEMBL17064250 | 0.73 | HCRTR1 (0.39) | MAPTPOLBDHODHKMT2A | |
| SCHEMBL16237487 | 0.73 | HDAC3 (0.43) | CDC7DBF4DHODH | |
| SCHEMBL17874029 | 0.72 | SCN9A (0.37) | HPGDRAB9ANPC1 | |
| SCHEMBL7839276 | 0.72 | ALDH1A1 (0.39) | CDC7DBF4ALDH1A1HPGDMAPT | |
| SCHEMBL19894057 | 0.71 | TSHR (0.54) | ALDH1A1MAPTKDM4EL3MBTL1RAB9A | |
| SCHEMBL8946850 | 0.70 | KDM4E (0.62) | CDC7DBF4GRM6ALDH1A1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016102438-A1 | PROCESS FOR THE PREPARATION OF 4-PHENYL-5-ALKOXYCARBONYL-2-THIAZOL-2-YL-1,4-DIHYDROPYRIMIDINE ANALOGUES | F. HOFFMANN-LA ROCHE AG (CH) | 2016-06-30 | — | — | WO | disclosed |