Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.31 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.31 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.31 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.31 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.31 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | USP2 | O75604 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | MMP9 | P14780 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL17107888 | 0.84 | GABRA1 (0.31) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL18483946 | 0.71 | DDB1 (0.38) | CYP1A2CYP3A4CYP2D6KDM4EALDH1A1 | |
| SCHEMBL17239601 | 0.70 | DGAT1 (0.30) | — | |
| SCHEMBL25892789 | 0.70 | PARG (0.32) | — | |
| SCHEMBL4364406 | 0.70 | BCHE (0.41) | CYP1A2CYP3A4CYP2D6KDM4EUSP2 | |
| SCHEMBL22445335 | 0.69 | CYP1A2 (0.31) | CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL17320995 | 0.69 | AURKA (0.35) | CYP1A2CYP3A4CYP2D6KDM4EALDH1A1 | |
| SCHEMBL15273672 | 0.68 | KLKB1 (0.32) | CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL14738317 | 0.68 | KCNH2 (0.40) | CYP1A2CYP3A4CYP2D6GABRA1GABRA5 | |
| SCHEMBL18224567 | 0.68 | DDB1 (0.36) | CYP1A2CYP3A4CYP2D6GABRA1GABRG2 |
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-2016162325-A1 | SUBSTITUTED 3,4-DIHYDROPYRROLO[1,2-A]PYRAZIN-1 (2H)-ONE DERIVATIVES AS KINASE INHIBITORS | ASTRAZENECA AB (SE) | 2016-10-13 | — | — | WO | disclosed |