Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM4 | Q14833 | 5/20 | 0.42 |
| ▸ | NCF1 | P14598 | 1/20 | 0.36 |
| ▸ | MPO | P05164 | 2/20 | 0.36 |
| ▸ | BTK | Q06187 | 2/20 | 0.35 |
| ▸ | PDE5A | O76074 | 1/20 | 0.34 |
| ▸ | TPO | P07202 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | EPX | P11678 | 1/20 | 0.34 |
| ▸ | MGMT | P16455 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.34 |
| ▸ | CASP6 | P55212 | 1/20 | 0.33 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.33 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.32 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | SCN1A | P35498 | 1/20 | 0.32 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL3969266 | 0.93 | GRM4 (0.46) | GRM4NCF1BTKMAPK1ABCB11 | |
| SCHEMBL3967581 | 0.89 | PDE5A (0.42) | MPOPDE5ATPOCYP3A4EPX | |
| SCHEMBL4979075 | 0.87 | AURKA (0.43) | GRM4BTKCYP3A4CYP2D6 | |
| SCHEMBL3964220 | 0.79 | GRM4 (0.46) | GRM4BTKCYP3A4CYP1A2CYP2D6 | |
| SCHEMBL3971724 | 0.78 | NPSR1 (0.42) | MPOCYP3A4LMNACYP2D6CNR1 | |
| SCHEMBL3967542 | 0.77 | AURKA (0.50) | BTK | |
| SCHEMBL3968847 | 0.74 | GRM4 (0.37) | GRM4BTKMAPK1HRH4LMNA | |
| SCHEMBL3965216 | 0.73 | BTK (0.45) | BTKCYP3A4MAPK1LMNACYP1A2 | |
| SCHEMBL3963803 | 0.71 | HTT (0.39) | HRH4LMNA | |
| SCHEMBL3969975 | 0.69 | MAT2A (0.38) | MAPK1NUDT1LMNA |
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-1966190-A1 | ISOQUINOLINE AMINOPYRAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS FOR THE TREATMENT OF CANCER | F.HOFFMANN-LA ROCHE AG (CH) | 2008-09-10 | — | — | EP | claimed |
| WO-2007071348-A1 | ISOQUINOLINE AMINOPYRAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS FOR THE TREATMENT OF CANCER | F. HOFFMANN-LA ROCHE AG (CH) | 2007-06-28 | — | — | WO | claimed |