Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNN4 | O15554 | 1/20 | 0.34 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.31 |
| ▸ | GRM5 | P41594 | 4/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.31 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.30 |
| ▸ | JAK1 | P23458 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | USP2 | O75604 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL21770587 | 0.75 | NOS1 (0.34) | MAPT | |
| SCHEMBL19553576 | 0.74 | PRKCH (0.32) | — | |
| SCHEMBL21770422 | 0.73 | GBA1 (0.35) | SMN1; SMN2 | |
| SCHEMBL21770957 | 0.73 | CACNA2D1 (0.50) | — | |
| SCHEMBL21770571 | 0.73 | MTNR1A (0.41) | — | |
| SCHEMBL16120608 | 0.72 | MEN1 (0.33) | ALDH1A1SMN1; SMN2MAPTL3MBTL1 | |
| SCHEMBL21770324 | 0.71 | CACNA2D1 (0.51) | — | |
| SCHEMBL17718026 | 0.69 | ALDH1A1 (0.40) | KDM4EALDH1A1SMN1; SMN2MAPTL3MBTL1 | |
| SCHEMBL21770895 | 0.67 | ALDH1A1 (0.35) | KDM4EALDH1A1 | |
| SCHEMBL21770523 | 0.67 | SLC6A2 (0.48) | KDM4ECYP1A2CYP3A4ALDH1A1SMN1; SMN2 |
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-3452475-B1 | TETRAHYDROPYRIMIDODIAZEPINE AND TETRAHYDROPYRIDODIAZEPINE COMPOUNDS FOR TREATING PAIN AND PAIN RELATED CONDITIONS | ESTEVE PHARMACEUTICALS SA (ES) | 2020-02-26 | — | — | EP | disclosed |