Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 11/20 | 0.52 |
| ▸ | CES1 | P23141 | 10/20 | 0.52 |
| ▸ | VNN1 | O95497 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.38 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.38 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3836833 | 0.93 | CES2 (0.48) | CES2CES1VNN1RAB9AHDAC3 | |
| SCHEMBL2363242 | 0.85 | HTT (0.48) | VNN1HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL2362049 | 0.82 | TACR3 (0.44) | RAB9AHDAC1HTTPOLBSSTR4 | |
| SCHEMBL2287562 | 0.80 | MAPT (0.51) | RAB9AHTTKDM4E | |
| SCHEMBL2712662 | 0.78 | SSTR4 (0.53) | HDAC3HDAC1HDAC2HDAC6HTT | |
| SCHEMBL3560390 | 0.78 | SSTR4 (0.56) | HDAC3HDAC1HDAC2HDAC6HTT | |
| SCHEMBL15258641 | 0.78 | MPO (0.47) | HTTKDM4EALDH1A1 | |
| SCHEMBL2035076 | 0.77 | RAB9A (0.35) | CES2CES1RAB9AHDAC3HDAC1 | |
| SCHEMBL20476086 | 0.77 | ALDH1A1 (0.39) | RAB9AHDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL6620132 | 0.77 | SSTR4 (0.59) | HDAC3HDAC1HDAC2HDAC6POLB |
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 |