Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.50 |
| ▸ | RAB9A | P51151 | 5/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | BTK | Q06187 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.43 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.43 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.43 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.43 |
| ▸ | PRKDC | P78527 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | GRM5 | P41594 | 3/20 | 0.41 |
| ▸ | F2 | P00734 | 1/20 | 0.40 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.40 |
| ▸ | NTRK3 | Q16288 | 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 | |
|---|---|---|---|---|
| SCHEMBL22009047 | 0.78 | NPC1 (0.55) | NPC1RAB9AMEN1KMT2ABTK | |
| SCHEMBL22009300 | 0.74 | RAB9A (0.51) | NPC1RAB9AMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL21965634 | 0.74 | BTK (0.46) | NPC1RAB9AMEN1KMT2ABTK | |
| Hydrochloric Acid SCHEMBL21903657 | 0.73 | BTK (0.45) | NPC1RAB9AMEN1KMT2ABTK | |
| Hydrochloric Acid SCHEMBL21903655 | 0.73 | BTK (0.45) | NPC1RAB9AMEN1KMT2ABTK | |
| SCHEMBL21903567 | 0.72 | BTK (0.52) | BTK | |
| SCHEMBL6940180 | 0.70 | RAB9A (1.00) | NPC1RAB9AMEN1KMT2AKDM4E | |
| SCHEMBL31684256 | 0.69 | BTK (0.57) | BTK | |
| SCHEMBL3365984 | 0.67 | RAB9A (0.83) | NPC1RAB9AMEN1KMT2AKDM4E | |
| SCHEMBL29546594 | 0.67 | NPC1 (0.56) | NPC1RAB9AMEN1KMT2ABTK |
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 |
|---|---|---|---|---|---|---|---|
| EP-3653626-A1 | NOVEL 1H-PYRAZOLOPYRIDINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME | Daewoong Pharmaceutical Co., Ltd. (KR) | 2020-05-20 | — | — | EP | disclosed |