Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.53 |
| ▸ | EP300 | Q09472 | 6/20 | 0.53 |
| ▸ | CREBBP | Q92793 | 6/20 | 0.53 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | USP2 | O75604 | 1/20 | 0.48 |
| ▸ | RHOC | P08134 | 1/20 | 0.47 |
| ▸ | RHOA | P61586 | 1/20 | 0.47 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.45 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.45 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.44 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CCR1 | P32246 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL27693623 | 0.86 | EP300 (0.54) | NPC1EP300CREBBPSCN3AMEN1 | |
| SCHEMBL78329 | 0.81 | NPC1 (0.77) | NPC1EP300CREBBPMEN1KMT2A | |
| SCHEMBL4206705 | 0.79 | F10 (0.48) | NPC1MEN1KMT2A | |
| SCHEMBL6987515 | 0.78 | GPR119 (0.50) | NPC1MEN1KMT2APTPN2PTPN1 | |
| SCHEMBL7493948 | 0.74 | MEN1 (0.39) | MEN1KMT2AUSP2ALDH1A1L3MBTL1 | |
| SCHEMBL27754721 | 0.73 | FKBP1A (0.41) | NPC1POLBRAB9A | |
| SCHEMBL27614912 | 0.73 | HSD17B10 (0.45) | NPC1RAB9AALDH1A1 | |
| SCHEMBL27614915 | 0.73 | HSD17B10 (0.45) | NPC1RAB9AALDH1A1 | |
| SCHEMBL17729048 | 0.73 | ALDH1A1 (0.63) | NPC1MEN1KMT2AUSP2RHOC | |
| SCHEMBL8283575 | 0.72 | PTPN2 (0.81) | NPC1RHOCRHOAPTPN2PTPN1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1720844-B1 | 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) | 2009-04-29 | — | — | EP | disclosed |
| 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 |