Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | CES2 | O00748 | 2/20 | 0.35 |
| ▸ | CES1 | P23141 | 2/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.35 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | TACR3 | P29371 | 2/20 | 0.33 |
| ▸ | AKT1 | P31749 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2035077 | 1.00 | RAB9A (0.35) | RAB9ACES2CES1ROCK2ROCK1 | |
| SCHEMBL10167151 | 0.86 | AKT1 (0.43) | RAB9AROCK2ROCK1ALDH1A1KMT2A | |
| SCHEMBL538952 | 0.86 | AKT1 (0.43) | RAB9AROCK2ROCK1ALDH1A1KMT2A | |
| SCHEMBL538953 | 0.86 | AKT1 (0.43) | RAB9AROCK2ROCK1ALDH1A1KMT2A | |
| SCHEMBL3836833 | 0.83 | CES2 (0.48) | RAB9ACES2CES1ROCK2ROCK1 | |
| SCHEMBL28056293 | 0.82 | ELANE (0.33) | RAB9AROCK2ROCK1ALDH1A1KMT2A | |
| SCHEMBL3715587 | 0.77 | CES2 (0.52) | RAB9ACES2CES1ALDH1A1SSTR4 | |
| SCHEMBL5216998 | 0.77 | CES2 (0.50) | RAB9ACES2CES1ALDH1A1KMT2A | |
| SCHEMBL5216994 | 0.77 | CES2 (0.50) | RAB9ACES2CES1ALDH1A1KMT2A | |
| SCHEMBL2830740 | 0.76 | CES2 (0.61) | RAB9ACES2CES1ALDH1A1KMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2516435-B1 | INHIBITORS OF AKT ACTIVITY | ALMAC DISCOVERY LTD (GB) | 2014-08-06 | — | — | EP | disclosed |
| EP-2516435-A1 | INHIBITORS OF AKT ACTIVITY | Almac Discovery Limited (GB) | 2012-10-31 | — | — | EP | disclosed |
| WO-2011077098-A9 | INHIBITORS OF AKT ACTIVITY | ALMAC DISCOVERY LIMITED (GB) | 2012-04-19 | — | — | WO | disclosed |
| WO-2011077098-A1 | INHIBITORS OF AKT ACTIVITY | ALMAC DISCOVERY LIMITED (GB) | 2011-06-30 | — | — | WO | disclosed |