Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 4/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.43 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.43 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.41 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL14658480 | 0.87 | TSHR (0.55) | TSHRMAPTLMNAALDH1A1KDM4E | |
| SCHEMBL14829580 | 0.84 | MAPT (0.53) | TSHRMAPTLMNAALDH1A1KDM4E | |
| SCHEMBL27178747 | 0.81 | MAPT (0.56) | MAPTLMNAALDH1A1KDM4EGAA | |
| SCHEMBL14829257 | 0.78 | MAPT (0.53) | MAPTLMNAALDH1A1KDM4EGAA | |
| SCHEMBL14829668 | 0.75 | HTR2A (0.41) | — | |
| SCHEMBL28240321 | 0.74 | MAPT (0.70) | MAPTLMNAALDH1A1KDM4EGAA | |
| SCHEMBL28241141 | 0.73 | MAPT (0.62) | MAPTLMNAALDH1A1KDM4EGAA | |
| SCHEMBL1126175 | 0.73 | ADRA2A (0.49) | TSHRMAPTLMNAALDH1A1KDM4E | |
| SCHEMBL27178714 | 0.73 | TSHR (0.63) | TSHRMAPTLMNAALDH1A1KDM4E | |
| SCHEMBL12138422 | 0.72 | MAPT (0.53) | TSHRMAPTLMNAALDH1A1KDM4E |
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-2760854-A1 | IMIDAZOLE DERIVATIVES AS CYP17 INHIBITORS FOR THE TREATMENT OF CANCER | Endo Pharmaceuticals Inc. (US) | 2014-08-06 | — | — | EP | disclosed |
| WO-2013049565-A1 | IMIDAZOLE DERIVATIVES AS CYP17 INHIBITORS FOR THE TREATMENT OF CANCER | ENDO PHARMACEUTICALS INC. (US) | 2013-04-04 | — | — | WO | disclosed |