Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.41 |
| ▸ | RAB9A | P51151 | 6/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.41 |
| ▸ | CASP7 | P55210 | 1/20 | 0.41 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.39 |
| ▸ | MTOR | P42345 | 1/20 | 0.39 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.39 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.38 |
| ▸ | CDK1 | P06493 | 1/20 | 0.38 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.38 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL30850780 | 1.00 | NPC1 (0.41) | NPC1RAB9AKDM4EALDH1A1HPGD | |
| Thiophene SCHEMBL12540367 | 0.94 | NPC1 (0.37) | NPC1RAB9AKDM4EALDH1A1HPGD | |
| SCHEMBL680853 | 0.73 | NPC1 (0.45) | NPC1RAB9AKDM4EALDH1A1HPGD | |
| SCHEMBL4875480 | 0.73 | KDM4E (0.36) | KDM4EALDH1A1HPGDHSD17B10GAA | |
| SCHEMBL5997136 | 0.73 | PIK3CA (0.40) | NPC1RAB9AKDM4EALDH1A1HPGD | |
| Hydrochloric Acid SCHEMBL4456673 | 0.72 | NPC1 (0.44) | NPC1RAB9AKDM4EALDH1A1HPGD | |
| SCHEMBL31547968 | 0.72 | MAPK1 (0.41) | NPC1PIK3CAPIK3CGCDK5CDK8 | |
| SCHEMBL30850674 | 0.72 | PIK3CA (0.39) | NPC1ALDH1A1PIK3CAMTORPIK3CG | |
| Hydrochloric Acid SCHEMBL1895411 | 0.72 | ADORA3 (0.47) | NPC1RAB9AKDM4EALDH1A1HPGD | |
| SCHEMBL4411497 | 0.71 | SMN1; SMN2 (0.49) | RAB9AKDM4EALDH1A1SMN1; SMN2HSD17B10 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117083286-A | Pair A 2A A is a 3 Adenosine derivatives having antagonism to adenosine receptor and process for preparing same | 未来制药有限公司 | 2023-11-17 | — | — | CN | disclosed |
| EP-2493895-A1 | N-CONTAINING HETEROARYL DERIVATIVES AS JAK3 KINASE INHIBITORS | Palau Pharma, S.A. (ES) | 2012-09-05 | — | — | EP | disclosed |
| WO-2011051452-A1 | N-CONTAINING HETEROARYL DERIVATIVES AS JAK3 KINASE INHIBITORS | PALAU PHARMA, S.A. (ES) | 2011-05-05 | — | — | WO | disclosed |