Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT1 | P31749 | 8/20 | 0.44 |
| ▸ | AKT2 | P31751 | 4/20 | 0.44 |
| ▸ | CNR1 | P21554 | 2/20 | 0.40 |
| ▸ | CNR2 | P34972 | 2/20 | 0.40 |
| ▸ | KIT | P10721 | 2/20 | 0.36 |
| ▸ | PDE2A | O00408 | 3/20 | 0.35 |
| ▸ | TACR3 | P29371 | 2/20 | 0.33 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.33 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL14975461 | 0.94 | AKT1 (0.43) | AKT1AKT2CNR1CNR2KIT | |
| SCHEMBL14976175 | 0.89 | CNR1 (0.44) | AKT1AKT2CNR1CNR2KIT | |
| SCHEMBL14976448 | 0.85 | AKT1 (0.43) | AKT1AKT2CNR1CNR2KIT | |
| SCHEMBL14977463 | 0.85 | ROCK2 (0.42) | AKT1AKT2CNR1CNR2KIT | |
| SCHEMBL14976118 | 0.85 | AKT1 (0.41) | AKT1AKT2CNR1CNR2KIT | |
| SCHEMBL14977316 | 0.85 | AKT1 (0.47) | AKT1AKT2CNR1CNR2KIT | |
| SCHEMBL14976259 | 0.83 | CNR1 (0.40) | AKT1AKT2CNR1CNR2KIT | |
| SCHEMBL14977671 | 0.81 | AKT1 (0.45) | AKT1AKT2CNR1CNR2KIT | |
| SCHEMBL14977162 | 0.81 | AKT1 (0.45) | AKT1AKT2CNR1CNR2KIT | |
| SCHEMBL14976591 | 0.81 | AKT1 (0.46) | AKT1AKT2CNR1CNR2KIT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2013078254-A1 | BICYCLIC HETEROARYL DERIVATIVES AS KINASE INHIBITORS | ARRAY BIOPHARMA INC. (US) | 2013-05-30 | — | — | WO | disclosed |