Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.34 |
| ▸ | CA2 | P00918 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | BACE1 | P56817 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | GRM4 | Q14833 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | APP | P05067 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 3/20 | 0.32 |
| ▸ | CA12 | O43570 | 2/20 | 0.32 |
| ▸ | EGFR | P00533 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 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 | |
|---|---|---|---|---|
| SCHEMBL18323294 | 0.73 | NPC1 (0.49) | CA1CA2MEN1KMT2ARAB9A | |
| SCHEMBL18323503 | 0.73 | ALDH1A1 (0.49) | CA1CA2MEN1KMT2ALMNA | |
| SCHEMBL18323502 | 0.68 | SCN10A (0.49) | RAB9AMAPTNPC1SMN1; SMN2 | |
| SCHEMBL18323181 | 0.67 | ATR (0.37) | CA1CA2MEN1KMT2ALMNA | |
| SCHEMBL18323170 | 0.61 | THRB (0.34) | KMT2ALMNARAB9AGRM4MAPT | |
| SCHEMBL15907179 | 0.58 | RAB9A (0.52) | MEN1KMT2ALMNARAB9AMAPT | |
| SCHEMBL18323129 | 0.58 | F10 (0.45) | CA2MEN1KMT2ARAB9ANPC1 | |
| SCHEMBL231811 | 0.57 | ALDH1A1 (0.54) | MEN1KMT2ABACE1LMNARAB9A | |
| SCHEMBL232185 | 0.57 | GRM5 (0.49) | MEN1KMT2ARAB9AGRM4MAPT | |
| SCHEMBL15907194 | 0.55 | ALDH1A1 (0.53) | MEN1KMT2ALMNARAB9AMAPT |
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 |