Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | MMP8 | P22894 | 1/20 | 0.43 |
| ▸ | MMP12 | P39900 | 1/20 | 0.43 |
| ▸ | MMP13 | P45452 | 1/20 | 0.43 |
| ▸ | DAO | P14920 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.41 |
| ▸ | F10 | P00742 | 2/20 | 0.40 |
| ▸ | F2 | P00734 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6290811 | 0.79 | L3MBTL1 (0.57) | ALDH1A1HPGDMAPTMMP8MMP12 | |
| SCHEMBL6290809 | 0.79 | L3MBTL1 (0.57) | ALDH1A1HPGDMAPTMMP8MMP12 | |
| SCHEMBL7009968 | 0.72 | KDM4E (0.49) | ALDH1A1HPGDNPC1POLBL3MBTL1 | |
| SCHEMBL7002023 | 0.72 | HSD11B1 (0.46) | ALDH1A1HPGDRAB9ANPC1L3MBTL1 | |
| SCHEMBL1031822 | 0.71 | EGLN1 (0.44) | MAPT | |
| SCHEMBL1032206 | 0.71 | EGLN1 (0.44) | MAPT | |
| SCHEMBL4028654 | 0.70 | ALDH1A1 (0.53) | ALDH1A1HPGDMAPTDAOTSHR | |
| SCHEMBL2567470 | 0.70 | ALDH1A1 (0.46) | ALDH1A1HPGDMAPTDAOTSHR | |
| SCHEMBL10509618 | 0.70 | SPR (0.46) | ALDH1A1SMN1; SMN2GAA | |
| SCHEMBL5161696 | 0.69 | SMN1; SMN2 (0.53) | MAPTRAB9ASMN1; SMN2NPC1TP53 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-4705015-B2 | — | — | 2011-06-22 | — | — | JP | claimed |
| EP-1791597-A2 | CARBONYL COMPOUND-CONTAINING DRUG AND THE USE THEREOF | Merck Patent GmbH (DE) | 2007-06-06 | — | — | EP | claimed |
| 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 | claimed |
| JP-2006522033-A | — | — | 2006-09-28 | — | — | JP | claimed |
| WO-2006032342-A2 | CARBONYL COMPOUND-CONTAINING DRUG AND THE USE THEREOF | MERCK PATENT GMBH (DE) | 2006-03-30 | — | — | WO | claimed |
| 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 | claimed |