Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGR | P06401 | 10/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | NOS3 | P29474 | 2/20 | 0.40 |
| ▸ | NOS1 | P29475 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL16700954 | 0.85 | DGAT1 (0.43) | PGRMEN1CYP1A2CYP2C9TSHR | |
| SCHEMBL16700679 | 0.83 | PGR (0.47) | PGRMEN1CYP1A2CYP2C9TSHR | |
| SCHEMBL15043549 | 0.78 | PGR (0.44) | PGRCA2ALDH1A1 | |
| SCHEMBL12302191 | 0.77 | NOS3 (0.40) | CYP2C9KMT2ANOS3NOS1ALDH1A1 | |
| SCHEMBL16407785 | 0.77 | MAPT (0.39) | MEN1CYP1A2TSHRKMT2ANOS1 | |
| SCHEMBL12759755 | 0.77 | DGAT1 (0.36) | — | |
| SCHEMBL19049418 | 0.75 | SIGMAR1 (0.42) | PGRMEN1CYP1A2CYP2C9TSHR | |
| SCHEMBL31095793 | 0.73 | PGR (0.40) | PGRALDH1A1CYP3A4 | |
| SCHEMBL31095784 | 0.72 | PGR (0.45) | PGRCA1CA2 | |
| SCHEMBL12759775 | 0.72 | DGAT1 (0.36) | TSHRCA1CA2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3068785-B1 | SUBSTITUTED 4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AS CASEIN KINASE 1 D/E INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2019-06-26 | — | — | EP | disclosed |