Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT1 | P31749 | 4/20 | 0.40 |
| ▸ | MAPT | P10636 | 7/20 | 0.39 |
| ▸ | TP53 | P04637 | 5/20 | 0.39 |
| ▸ | GAA | P10253 | 4/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 4/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | SOS1 | Q07889 | 2/20 | 0.37 |
| ▸ | KRAS | P01116 | 1/20 | 0.37 |
| ▸ | XBP1 | P17861 | 1/20 | 0.35 |
| ▸ | TRPM8 | Q7Z2W7 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL27913600 | 0.84 | AKT1 (0.40) | AKT1MAPTTP53GAATHRB | |
| SCHEMBL27896112 | 0.81 | RPS6KB1 (0.49) | AKT1CYP2C9RPS6KB1AURKBINCENP | |
| SCHEMBL28946954 | 0.81 | AKT1 (0.40) | AKT1MAPTTP53GAASCN3A | |
| SCHEMBL17200096 | 0.71 | RPS6KB1 (0.68) | AKT1CYP2C9RPS6KB1AURKBINCENP | |
| SCHEMBL14974538 | 0.68 | RPS6KB1 (0.47) | AKT1RPS6KB1AURKBINCENP | |
| SCHEMBL14974384 | 0.68 | RPS6KB1 (0.59) | AKT1RPS6KB1AURKBINCENP | |
| SCHEMBL28762486 | 0.61 | GBA1 (0.55) | MAPTTP53MEN1KMT2ALMNA | |
| SCHEMBL20193362 | 0.60 | AKT1 (0.74) | AKT1RPS6KB1 | |
| SCHEMBL3118077 | 0.60 | CSNK2A1 (0.56) | SCN3ASCN1ASCN9ASCN2ASCN10A | |
| SCHEMBL14595931 | 0.60 | MMP3 (0.44) | TRPM8MMP3 |
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-2598492-A1 | BICYCLIC AZAHETEROCYCLIC CARBOXAMIDES AS INHIBITORS OF THE KINASE P70S6K | Merck Patent GmbH (DE) | 2013-06-05 | — | — | EP | disclosed |
| WO-2012013282-A1 | BICYCLIC AZAHETEROCYCLIC CARBOXAMIDES AS INHIBITORS OF THE KINASE P70S6K | MERCK PATENT GMBH (DE) | 2012-02-02 | — | — | WO | disclosed |