Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNN4 | O15554 | 2/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.35 |
| ▸ | CLK1 | P49759 | 1/20 | 0.35 |
| ▸ | KCNA5 | P22460 | 2/20 | 0.33 |
| ▸ | CTSA | P10619 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.32 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | LATS1 | O95835 | 1/20 | 0.32 |
| ▸ | LATS2 | Q9NRM7 | 1/20 | 0.32 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.31 |
| ▸ | KIF11 | P52732 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | AR | P10275 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL3787410 | 0.98 | KCNN4 (0.39) | KCNN4ROCK2CLK1KCNA5CTSA | |
| SCHEMBL4379432 | 0.81 | KCNN4 (0.48) | KCNN4CYP1A2CYP3A4CNR2LMNA | |
| SCHEMBL20553500 | 0.76 | MAPT (0.41) | ROCK2CTSACYP1A2CYP3A4LMNA | |
| SCHEMBL2004643 | 0.73 | PARP1 (0.35) | ROCK2MAPK10KIF11NPC1RAB9A | |
| SCHEMBL9928490 | 0.72 | CCR4 (0.36) | ROCK2CTSALATS1LATS2KIF11 | |
| SCHEMBL5912585 | 0.72 | MALT1 (0.43) | ROCK2KIF11MALT1 | |
| Hydrochloric Acid SCHEMBL28280557 | 0.70 | MALT1 (0.43) | KIF11MALT1 | |
| SCHEMBL9203753 | 0.68 | KCNN4 (0.70) | KCNN4CYP2D6LMNAKIF11RAB9A | |
| SCHEMBL12215972 | 0.67 | RAB9A (0.61) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL13576375 | 0.67 | HDAC3 (0.36) | ROCK2CTSALATS1LATS2MALT1 |
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 |