Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F10 | P00742 | 8/20 | 0.45 |
| ▸ | KLK1 | P06870 | 1/20 | 0.45 |
| ▸ | MAP3K5 | Q99683 | 5/20 | 0.43 |
| ▸ | MTOR | P42345 | 1/20 | 0.43 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.41 |
| ▸ | CDK2 | P24941 | 1/20 | 0.41 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL15907221 | 0.81 | MTOR (0.56) | MAP3K5MTORCCNA2CDK2CCNA1 | |
| SCHEMBL18323128 | 0.80 | NPC1 (0.52) | F10KLK1MTORMEN1NPC1 | |
| SCHEMBL18323294 | 0.80 | NPC1 (0.49) | MEN1NPC1KMT2ARAB9ARXFP1 | |
| SCHEMBL18323130 | 0.75 | NPC1 (0.36) | F10KLK1MAP3K5MTORMEN1 | |
| SCHEMBL18323127 | 0.70 | MAP3K5 (0.39) | F10KLK1MAP3K5MEN1NPC1 | |
| SCHEMBL11308749 | 0.67 | HCAR3 (0.77) | MEN1NPC1KMT2ARAB9ASMN1; SMN2 | |
| SCHEMBL4915077 | 0.65 | NPC1 (0.60) | NPC1RAB9AALDH1A1SMN1; SMN2 | |
| SCHEMBL28994215 | 0.65 | BTK (0.53) | — | |
| SCHEMBL25223941 | 0.63 | NPC1 (0.56) | F10MEN1NPC1KMT2ARAB9A | |
| SCHEMBL13210699 | 0.62 | KMT2A (0.73) | MEN1NPC1KMT2ARAB9ACA2 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |