Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.52 |
| ▸ | RAB9A | P51151 | 5/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.52 |
| ▸ | MTOR | P42345 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | F10 | P00742 | 2/20 | 0.43 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | GRM5 | P41594 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | KLK1 | P06870 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL15907219 | 0.83 | MTOR (0.57) | NPC1RAB9AMEN1KMT2ARXFP1 | |
| SCHEMBL18323129 | 0.80 | F10 (0.45) | NPC1RAB9AMEN1KMT2ARXFP1 | |
| SCHEMBL18323503 | 0.80 | ALDH1A1 (0.49) | NPC1RAB9AMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL18323130 | 0.74 | NPC1 (0.36) | NPC1RAB9AMEN1KMT2ARXFP1 | |
| SCHEMBL18323127 | 0.69 | MAP3K5 (0.39) | NPC1RAB9AMEN1KMT2ARXFP1 | |
| SCHEMBL8103599 | 0.68 | CA2 (0.47) | NPC1RAB9ASMN1; SMN2ALDH1A1CA12 | |
| SCHEMBL25223673 | 0.67 | PTGS1 (0.62) | RAB9AMEN1KMT2AMTORTSHR | |
| SCHEMBL13878433 | 0.67 | KMT2A (0.76) | NPC1RAB9AMEN1KMT2ARXFP1 | |
| SCHEMBL14880222 | 0.66 | HDAC8 (0.71) | NPC1RAB9AMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL7136154 | 0.65 | CA2 (0.47) | SMN1; SMN2ALDH1A1CA12CA9 |
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 |