Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | HPGDS | O60760 | 1/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 6/20 | 0.49 |
| ▸ | CYP2B6 | P20813 | 4/20 | 0.49 |
| ▸ | CYP2E1 | P05181 | 3/20 | 0.49 |
| ▸ | ALK | Q9UM73 | 2/20 | 0.47 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | MAP2K4 | P45985 | 1/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | GSK3A | P49840 | 2/20 | 0.43 |
| ▸ | GSK3B | P49841 | 2/20 | 0.43 |
| ▸ | AURKA | O14965 | 1/20 | 0.42 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.42 |
| ▸ | JAK2 | O60674 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL12298063 | 0.81 | RAB9A (0.55) | ALDH1A1HPGDSTDP1RETKDR | |
| SCHEMBL6597674 | 0.80 | HPGDS (0.53) | CYP3A4CYP1A2ALDH1A1HPGDSCYP2A6 | |
| SCHEMBL10311312 | 0.80 | PDPK1 (0.42) | ALDH1A1TDP1GSK3AGSK3BROCK1 | |
| Hydrochloric Acid SCHEMBL1194018 | 0.79 | HPGDS (0.52) | CYP3A4CYP1A2ALDH1A1HPGDSCYP2A6 | |
| SCHEMBL2318425 | 0.78 | CYP3A4 (0.59) | CYP3A4CYP1A2ALDH1A1HPGDSCYP2A6 | |
| SCHEMBL6596371 | 0.77 | HPGDS (0.53) | CYP3A4CYP1A2ALDH1A1HPGDSCYP2A6 | |
| SCHEMBL7379027 | 0.77 | CYP1A2 (0.50) | CYP3A4CYP1A2ALDH1A1HPGDSCYP2A6 | |
| SCHEMBL28207587 | 0.76 | ALDH1A1 (0.61) | CYP3A4CYP1A2ALDH1A1HPGDSCYP2A6 | |
| SCHEMBL3078162 | 0.76 | CYP3A4 (0.89) | CYP3A4CYP1A2ALDH1A1HPGDSCYP2A6 | |
| Hydrochloric Acid SCHEMBL1195021 | 0.76 | HPGDS (0.52) | CYP3A4CYP1A2ALDH1A1HPGDSCYP2A6 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1802373-A | Pyrazoloisoquinoline derivatives as kinase inhibitors | AVENTIS PHARMA INC (US) | 2006-07-12 | — | — | CN | claimed |
| EP-2531490-A1 | CYCLOHEXYL AMIDE DERIVATIVES AS CRF RECEPTOR ANTAGONISTS | Novartis AG (CH) | 2012-12-12 | — | — | EP | disclosed |
| WO-2011095450-A1 | CYCLOHEXYL AMIDE DERIVATIVES AS CRF RECEPTOR ANTAGONISTS | NOVARTIS AG (CH) | 2011-08-11 | — | — | WO | disclosed |
| CN-1802373-A | Pyrazoloisoquinoline derivatives as kinase inhibitors | AVENTIS PHARMA INC (US) | 2006-07-12 | — | — | CN | disclosed |