Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGFR | P43088 | 3/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.42 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.42 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.41 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
| ▸ | MME | P08473 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | CACNA1B | Q00975 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4325567 | 0.84 | ESR1 (0.44) | CNR2PTGS1PTGS2ALDH1A1KDM4E | |
| SCHEMBL4333359 | 0.83 | CYP2C19 (0.52) | PTGFRALDH1A1MAPK1 | |
| SCHEMBL28290228 | 0.83 | CYP2C19 (0.52) | PTGFRALDH1A1MAPK1 | |
| SCHEMBL29182140 | 0.82 | NPC1 (0.54) | PTGFREGLN2EGLN1ALDH1A1SLC6A9 | |
| SCHEMBL20430458 | 0.80 | BCAT2 (0.51) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL5751931 | 0.80 | BCAT2 (0.51) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL30371988 | 0.79 | PTGS1 (0.44) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL25045524 | 0.79 | CTSS (0.46) | PTGFREGLN2EGLN1MME | |
| SCHEMBL4065435 | 0.79 | HDAC3 (0.42) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL15663752 | 0.79 | HDAC3 (0.42) | HDAC3HDAC4HDAC1HDAC7HDAC2 |
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-2020161257-A1 | 3-AMINO-2-[2-(ACYLAMINO)PYRIDIN-4-YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE AS CSNK1 INHIBITORS | BAYER AKTIENGESELLSCHAFT (DE) | 2020-08-13 | — | — | WO | disclosed |