Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.57 |
| ▸ | RAB9A | P51151 | 2/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.57 |
| ▸ | CCR2 | P41597 | 10/20 | 0.54 |
| ▸ | GPR183 | P32249 | 5/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL4493938 | 0.87 | NPC1 (0.54) | NPC1RAB9ATDP1CCR2GPR183 | |
| SCHEMBL4493946 | 0.87 | NPC1 (0.54) | NPC1RAB9ATDP1CCR2GPR183 | |
| SCHEMBL4493943 | 0.87 | NPC1 (0.54) | NPC1RAB9ATDP1CCR2GPR183 | |
| SCHEMBL5606394 | 0.86 | GAA (0.58) | NPC1RAB9ACCR2GPR183MAPT | |
| SCHEMBL4502004 | 0.81 | NPC1 (0.67) | NPC1RAB9ATDP1CCR2GPR183 | |
| SCHEMBL4502010 | 0.81 | NPC1 (0.67) | NPC1RAB9ATDP1CCR2GPR183 | |
| SCHEMBL8149919 | 0.80 | NPC1 (0.59) | NPC1RAB9ATDP1CCR2GPR183 | |
| SCHEMBL4519049 | 0.80 | NPC1 (0.73) | NPC1RAB9ATDP1CCR2GPR183 | |
| SCHEMBL4505160 | 0.80 | NPC1 (0.69) | NPC1RAB9ATDP1CCR2GPR183 | |
| SCHEMBL4505167 | 0.80 | NPC1 (0.69) | NPC1RAB9ATDP1CCR2GPR183 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1791597-A2 | CARBONYL COMPOUND-CONTAINING DRUG AND THE USE THEREOF | Merck Patent GmbH (DE) | 2007-06-06 | — | — | EP | disclosed |
| EP-1720844-A2 | PYRROLIDINO-1,2-DICARBOXY-1-(PHENYLAMIDE)-2-(4-(3-OXO-MORPHOLINO-4-YL)-PHENYLAMIDE) DERIVATIVES AND RELATED COMPOUNDS FOR USE AS INHIBITORS OF COAGULATION FACTOR XA IN THE TREATMENT OF THROMBO-EMBOLIC DISEASES | MERCK PATENT GmbH (DE) | 2006-11-15 | — | — | EP | disclosed |
| WO-2006032342-A2 | CARBONYL COMPOUND-CONTAINING DRUG AND THE USE THEREOF | MERCK PATENT GMBH (DE) | 2006-03-30 | — | — | WO | disclosed |
| WO-2004087646-A2 | PYRROLIDINO-1,2-DICARBOXY-1-(PHENYLAMIDE)-2-(4-(3-OXO-MORPHOLINO-4-YL)-PHENYLAMIDE) DERIVATIVES AND RELATED COMPOUNDS FOR USE AS INHIBITORS OF COAGULATION FACTOR XA IN THE TREATMENT OF THROMBO-EMBOLIC DISEASES | MERCK PATENT GMBH (DE) | 2004-10-14 | — | — | WO | disclosed |