Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | RORC | P51449 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 2/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.38 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.38 |
| ▸ | EGFR | P00533 | 2/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | CCR2 | P41597 | 1/20 | 0.36 |
| ▸ | DAO | P14920 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.34 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.34 |
| ▸ | CHRNG | P07510 | 1/20 | 0.34 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11832968 | 0.92 | ALDH1A1 (0.40) | ALDH1A1ACHERORCMAOBMAOA | |
| SCHEMBL425311 | 0.77 | MEN1 (0.45) | ALDH1A1 | |
| SCHEMBL9230998 | 0.77 | MAOB (0.43) | ALDH1A1ACHEMAOBMAOAHCAR3 | |
| SCHEMBL12691648 | 0.73 | MAOB (0.40) | ALDH1A1ACHEMAOBMAOAHCAR3 | |
| SCHEMBL13361601 | 0.73 | SLC6A3 (0.48) | ACHERORCMAOBMAOASLC6A3 | |
| SCHEMBL8365226 | 0.73 | SLC6A3 (0.44) | ACHERORCMAOBMAOAPTGS2 | |
| SCHEMBL14625430 | 0.71 | SLC6A3 (0.52) | RORCMAOBMAOASLC6A3SLC6A4 | |
| SCHEMBL21131147 | 0.71 | MAOB (0.43) | ALDH1A1ACHEMAOBMAOAHCAR3 | |
| SCHEMBL20743121 | 0.71 | SLC6A3 (0.42) | ACHEMAOBMAOASLC6A3SLC6A4 | |
| SCHEMBL11821130 | 0.71 | KMT2A (0.42) | ALDH1A1MAOBMAOAPTGS1PTGS2 |
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 3 patents. 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 |
| EP-0636119-A1 | PHENYL SUBSTITUTED CYCLOALKYL HYDROXYUREA DERIVATIVES WHICH INHIBIT LIPOXYGENASE | PFIZER INC. (US) | 1995-02-01 | — | — | EP | disclosed |
| WO-1993021149-A1 | PHENYL SUBSTITUTED CYCLOALKYL HYDROXYUREA DERIVATIVES WHICH INHIBIT LIPOXYGENASE | PFIZER INC. (US) | 1993-10-28 | — | — | WO | disclosed |