Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHODH | Q02127 | 2/20 | 0.41 |
| ▸ | PTGFR | P43088 | 2/20 | 0.40 |
| ▸ | RAF1 | P04049 | 1/20 | 0.40 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.39 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.39 |
| ▸ | PSMB5 | P28074 | 2/20 | 0.38 |
| ▸ | AKT1 | P31749 | 5/20 | 0.37 |
| ▸ | AKT2 | P31751 | 3/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.37 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.37 |
| ▸ | BMPR1B | O00238 | 1/20 | 0.36 |
| ▸ | BMPR1A | P36894 | 1/20 | 0.36 |
| ▸ | ACVR1B | P36896 | 1/20 | 0.36 |
| ▸ | ACVRL1 | P37023 | 1/20 | 0.36 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.36 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.35 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.35 |
| ▸ | ADK | P55263 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3785543 | 0.87 | RAF1 (0.41) | DHODHPTGFRRAF1AKT1AKT2 | |
| SCHEMBL3784817 | 0.86 | DHODH (0.41) | DHODHPTGFRRAF1AKT1AKT2 | |
| SCHEMBL3788474 | 0.83 | AKT1 (0.42) | DHODHRAF1AKT1AKT2ADORA2A | |
| SCHEMBL3791392 | 0.83 | RAF1 (0.38) | DHODHPTGFRRAF1AKT1AKT2 | |
| SCHEMBL3781768 | 0.82 | AKT1 (0.39) | DHODHPSMB5AKT1AKT2ADK | |
| SCHEMBL3707511 | 0.81 | ADORA2A (0.38) | DHODHPTGFRPSMB5AKT1AKT2 | |
| SCHEMBL12410268 | 0.80 | PSMB5 (0.40) | DHODHPSMB5AKT1ADK | |
| SCHEMBL3852779 | 0.78 | DHODH (0.45) | DHODHRAF1AKT1AKT2ADORA1 | |
| SCHEMBL1350829 | 0.77 | AKT1 (0.66) | AKT1AKT2 | |
| SCHEMBL1351506 | 0.77 | SGK1 (0.42) | PSMB5AKT1AKT2ADORA1ADK |
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-2391623-A1 | INHIBITORS OF AKT ACTIVITY | Merck Sharp & Dohme Corp. (US) | 2011-12-07 | — | — | EP | disclosed |
| WO-2010088177-A1 | INHIBITORS OF AKT ACTIVITY | MERCK SHARP & DOHME CORP. (US) | 2010-08-05 | — | — | WO | disclosed |