Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TIPARP | Q7Z3E1 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | DRD1 | P21728 | 7/20 | 0.44 |
| ▸ | DRD5 | P21918 | 7/20 | 0.44 |
| ▸ | DRD2 | P14416 | 6/20 | 0.43 |
| ▸ | DRD3 | P35462 | 6/20 | 0.43 |
| ▸ | DRD4 | P21917 | 4/20 | 0.42 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.41 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.41 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.40 |
| ▸ | KDR | P35968 | 1/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.40 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL798654 | 0.82 | PDGFRB (0.43) | DRD1DRD5DRD2DRD3DRD4 | |
| SCHEMBL793143 | 0.82 | GRIN2D (0.42) | ALDH1A1MAPTCYP11B1CYP11B2PDGFRB | |
| SCHEMBL793623 | 0.80 | MAPT (0.52) | ALDH1A1MAPT | |
| SCHEMBL793875 | 0.79 | TRPV3 (0.41) | PDGFRBKDRSCN9A | |
| SCHEMBL798794 | 0.78 | HRH3 (0.40) | MAPTS1PR1KDRSCN9A | |
| SCHEMBL5515881 | 0.76 | HTR3E (0.56) | TIPARPKDM4EALDH1A1MAPTDRD1 | |
| SCHEMBL29500341 | 0.75 | EED (0.59) | DRD1DRD5DRD2DRD3DRD4 | |
| SCHEMBL793336 | 0.75 | CYP19A1 (0.45) | ALDH1A1MAPTCYP11B1CYP11B2CYP19A1 | |
| SCHEMBL793208 | 0.75 | CYP19A1 (0.44) | ALDH1A1DRD2DRD4CYP11B1CYP11B2 | |
| SCHEMBL798146 | 0.74 | DRD1 (0.42) | ALDH1A1MAPTDRD1DRD5DRD2 |
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 |