Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.36 |
| ▸ | RAB9A | P51151 | 6/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | MTOR | P42345 | 1/20 | 0.35 |
| ▸ | F10 | P00742 | 4/20 | 0.35 |
| ▸ | KLK1 | P06870 | 1/20 | 0.35 |
| ▸ | PIK3C3 | Q8NEB9 | 2/20 | 0.34 |
| ▸ | MAP3K5 | Q99683 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL18323205 | 0.76 | NPC1 (0.32) | NPC1RAB9ASMN1; SMN2TP53NPSR1 | |
| SCHEMBL18323199 | 0.75 | ROR1 (0.33) | NPC1RAB9ASMN1; SMN2TP53NPSR1 | |
| SCHEMBL18323129 | 0.75 | F10 (0.45) | NPC1RAB9ASMN1; SMN2MTORF10 | |
| SCHEMBL18323128 | 0.74 | NPC1 (0.52) | NPC1RAB9ASMN1; SMN2MTORF10 | |
| SCHEMBL18323127 | 0.67 | MAP3K5 (0.39) | NPC1RAB9ATP53F10KLK1 | |
| SCHEMBL18323132 | 0.62 | KMT2A (0.32) | KMT2A | |
| SCHEMBL15907221 | 0.60 | MTOR (0.56) | NPC1RAB9ASMN1; SMN2TP53MTOR | |
| SCHEMBL18323503 | 0.59 | ALDH1A1 (0.49) | NPC1RAB9ASMN1; SMN2TP53NPSR1 | |
| SCHEMBL18323294 | 0.59 | NPC1 (0.49) | NPC1RAB9ASMN1; SMN2NPSR1L3MBTL1 | |
| SCHEMBL15907219 | 0.56 | MTOR (0.57) | NPC1RAB9ASMN1; SMN2TP53MTOR |
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 |