Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.37 |
| ▸ | GPR6 | P46095 | 2/20 | 0.35 |
| ▸ | GRM4 | Q14833 | 4/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | BRAF | P15056 | 2/20 | 0.34 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.33 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.33 |
| ▸ | FGFR2 | P21802 | 1/20 | 0.33 |
| ▸ | FGFR4 | P22455 | 1/20 | 0.33 |
| ▸ | FGFR3 | P22607 | 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 | |
|---|---|---|---|---|
| SCHEMBL15907263 | 0.91 | KIT (0.40) | MAP3K5 | |
| SCHEMBL15907265 | 0.82 | GPR6 (0.38) | MAP3K5GPR6GRM4KCNQ3KCNQ2 | |
| SCHEMBL15907251 | 0.75 | ALDH1A1 (0.43) | MAPTNPC1RAB9AHPGDSMN1; SMN2 | |
| SCHEMBL18323152 | 0.74 | GRM4 (0.36) | GRM4MAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL18323134 | 0.74 | BCAT2 (0.42) | NPC1RAB9ASMN1; SMN2KCNQ3KCNQ2 | |
| SCHEMBL15907279 | 0.69 | MAP3K5 (0.39) | MAP3K5GPR6MALT1 | |
| SCHEMBL15907208 | 0.68 | BRAF (0.41) | MAP3K5GRM4MAPTNPC1RAB9A | |
| SCHEMBL15907202 | 0.67 | MEN1 (0.50) | MAP3K5MAPTNPC1RAB9A | |
| SCHEMBL30962654 | 0.65 | PDE4D (0.49) | MAP3K5 | |
| SCHEMBL15907249 | 0.65 | KIT (0.48) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9522910-B2 | Protein kinase inhibitors (variants), use thereof in treating oncological diseases and a pharmaceutical composition based thereon | Obshchestvo s ogranichennoy otvetstvennostyou “Fusion Pharma” (RU) | 2016-12-20 | — | — | US | disclosed |
| US-9522910-B2 | Protein kinase inhibitors (variants), use thereof in treating oncological diseases and a pharmaceutical composition based thereon | Obshchestvo s ogranichennoy otvetstvennostyou “Fusion Pharma” (RU) | 2016-12-20 | — | — | US | disclosed |