Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 2/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | CDC25B | P30305 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | MKNK2 | Q9HBH9 | 2/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | PDE3B | Q13370 | 3/20 | 0.34 |
| ▸ | PDE3A | Q14432 | 3/20 | 0.34 |
| ▸ | TIPARP | Q7Z3E1 | 1/20 | 0.32 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.32 |
| ▸ | PKN1 | Q16512 | 1/20 | 0.32 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CDC7 | O00311 | 1/20 | 0.31 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL27977467 | 0.85 | CHRNB2 (0.41) | CHRNB2CHRNA4MAOAMAOBCDC25B | |
| SCHEMBL148437 | 0.76 | CA12 (0.55) | CHRNB2CHRNA4MAOAMAOBCDC25B | |
| SCHEMBL1118591 | 0.74 | — | — | |
| SCHEMBL29378632 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL7086048 | 0.74 | CA12 (0.53) | CHRNB2CHRNA4MAOAMAOBCDC25B | |
| SCHEMBL30082317 | 0.74 | CYP11B2 (0.49) | CHRNB2CHRNA4MAOAMAOBCDC25B | |
| SCHEMBL3581879 | 0.74 | CYP11B2 (0.49) | CHRNB2CHRNA4MAOAMAOBCDC25B | |
| Hydrochloric Acid SCHEMBL9317481 | 0.73 | CHRNB2 (0.54) | CHRNB2CHRNA4MAOBSIGMAR1PDE3B | |
| Hydrochloric Acid SCHEMBL793721 | 0.73 | CHRNB2 (0.54) | CHRNB2CHRNA4MAOBSIGMAR1PDE3B | |
| Hydrochloric Acid SCHEMBL16637919 | 0.73 | CHRNB2 (0.54) | CHRNB2CHRNA4MAOBSIGMAR1PDE3B |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2627648-A1 | 17aHYDROXYLASE/C17,20-LYASE INHIBITORS | Novartis AG (CH) | 2013-08-21 | — | — | EP | disclosed |
| WO-2012035078-A1 | 17α-HYDROXYLASE/C17,20-LYASE INHIBITORS | NOVARTIS AG (CH) | 2012-03-22 | — | — | WO | disclosed |