Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | DGAT2 | Q96PD7 | 3/20 | 0.40 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | USP14 | P54578 | 1/20 | 0.36 |
| ▸ | SCD | O00767 | 1/20 | 0.36 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.35 |
| ▸ | HRH2 | P25021 | 1/20 | 0.35 |
| ▸ | HRH1 | P35367 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8949331 | 0.75 | NPC1 (0.41) | NPC1RAB9ADGAT2MAPTSCD | |
| SCHEMBL8949168 | 0.72 | ITGB3 (0.43) | NPC1RAB9AMAPTSCD | |
| SCHEMBL8948657 | 0.70 | GRM2 (0.47) | DRD4TMEM97SIGMAR1USP14 | |
| Hydrochloric Acid SCHEMBL8949350 | 0.69 | NPC1 (0.42) | NPC1RAB9AMAPTSCDHRH3 | |
| SCHEMBL1742211 | 0.67 | HTR6 (0.46) | NPC1HRH2HRH1HRH3 | |
| SCHEMBL16128015 | 0.66 | ALDH1A1 (0.52) | NPC1RAB9AKDM4EALDH1A1MAPT | |
| SCHEMBL8949328 | 0.66 | ITGB3 (0.47) | NPC1RAB9ASCD | |
| SCHEMBL14587568 | 0.65 | SMN1; SMN2 (0.52) | ALDH1A1HRH3 | |
| SCHEMBL8770620 | 0.65 | ITGB3 (0.55) | KDM4EALDH1A1HRH2HRH1 | |
| SCHEMBL29852501 | 0.65 | KDM4E (0.49) | NPC1RAB9AKDM4EALDH1A1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-5563268-A | FOR PREVENTING CELL AGGLOMERATION, TREATING THROMBOSIS, ARTERIOSCLEROSIS, BRAIN, LUNG OR CARDIOVASCULAR DISORDERS | DR. KARL THOMAE GMBH (DE) | 1996-10-08 | — | — | US | disclosed |
| US-5418233-A | FOR INHIBITING CELL AGGREGATION | KARL THOMAE GMBH (DE) | 1995-05-23 | — | — | US | disclosed |
| EP-0537696-A1 | Heterobiaryl derivatives, medicines containing those compounds and process for their preparation | Dr. Karl Thomae GmbH (DE) | 1993-04-21 | — | — | EP | disclosed |