Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.49 |
| ▸ | NPC1 | O15118 | 6/20 | 0.49 |
| ▸ | RAB9A | P51151 | 6/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.49 |
| ▸ | TP53 | P04637 | 3/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | CA1 | P00915 | 4/20 | 0.46 |
| ▸ | CA2 | P00918 | 4/20 | 0.46 |
| ▸ | CA12 | O43570 | 2/20 | 0.46 |
| ▸ | CA9 | Q16790 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL15907194 | 0.83 | ALDH1A1 (0.53) | ALDH1A1NPC1RAB9ASMN1; SMN2TP53 | |
| SCHEMBL18323128 | 0.80 | NPC1 (0.52) | ALDH1A1NPC1RAB9ASMN1; SMN2HPGD | |
| SCHEMBL18323294 | 0.80 | NPC1 (0.49) | ALDH1A1NPC1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL18323166 | 0.76 | TP53 (0.38) | ALDH1A1NPC1RAB9ASMN1; SMN2TP53 | |
| SCHEMBL18323203 | 0.76 | RAB9A (0.44) | ALDH1A1NPC1RAB9ASMN1; SMN2TP53 | |
| SCHEMBL13210583 | 0.76 | ALDH1A1 (0.79) | ALDH1A1NPC1RAB9ASMN1; SMN2TP53 | |
| SCHEMBL18323504 | 0.73 | CA1 (0.34) | ALDH1A1NPC1RAB9ASMN1; SMN2POLB | |
| SCHEMBL8103599 | 0.70 | CA2 (0.47) | ALDH1A1NPC1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL18323502 | 0.69 | SCN10A (0.49) | NPC1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL13210704 | 0.69 | KMT2A (0.81) | ALDH1A1NPC1RAB9ASMN1; SMN2POLB |
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 |