Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | BDKRB2 | P30411 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.32 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | MMP1 | P03956 | 1/20 | 0.31 |
| ▸ | MMP9 | P14780 | 1/20 | 0.31 |
| ▸ | MMP13 | P45452 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL20070118 | 0.77 | XIAP (0.35) | CYP1A2TDP1ALDH1A1 | |
| SCHEMBL13103020 | 0.77 | DRD2 (0.40) | CYP1A2TDP1BDKRB2POLBEPHX2 | |
| SCHEMBL15298875 | 0.76 | BDKRB2 (0.36) | CYP1A2TDP1BDKRB2POLBALDH1A1 | |
| SCHEMBL7408898 | 0.76 | KDM4E (0.36) | CYP1A2TDP1EPHX2ALDH1A1 | |
| SCHEMBL20069553 | 0.76 | DPP4 (0.33) | BDKRB2OPRM1SLC22A1SLC6A4ADRA1A | |
| SCHEMBL21242398 | 0.76 | HTT (0.40) | CYP1A2POLBALDH1A1 | |
| SCHEMBL20070112 | 0.74 | BDKRB2 (0.33) | BDKRB2OPRM1SLC22A1SLC6A4ADRA1A | |
| SCHEMBL20069061 | 0.74 | DPP4 (0.36) | CYP1A2TDP1ALDH1A1 | |
| SCHEMBL20069051 | 0.73 | DPP4 (0.32) | — | |
| SCHEMBL20070121 | 0.73 | ALDH1A1 (0.33) | ALDH1A1OPRM1SLC22A1SLC6A4ADRA1A |
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-2018071454-A1 | SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS | ANDREWS STEVEN W (US) | 2018-04-19 | — | — | WO | disclosed |