Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.35 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.35 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 2/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.34 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | CA9 | Q16790 | 2/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL16376209 | 0.84 | ADORA3 (0.36) | ADORA3KDM4EALDH1A1HSD17B10GLA | |
| SCHEMBL3714621 | 0.78 | KDM4E (0.44) | ADORA3KDM4EALDH1A1HSD17B10GLA | |
| SCHEMBL9900893 | 0.73 | ADORA3 (0.43) | ADORA3KDM4EALDH1A1HSD17B10GLA | |
| SCHEMBL31251989 | 0.68 | KDM4E (0.66) | KDM4EALDH1A1HSD17B10GLAGAA | |
| SCHEMBL375596 | 0.67 | ADORA3 (0.47) | ADORA3KDM4EALDH1A1HSD17B10GLA | |
| SCHEMBL18237882 | 0.67 | KDM4E (0.41) | KDM4EALDH1A1HSD17B10GLAGAA | |
| SCHEMBL27688810 | 0.67 | ALDH1A1 (0.42) | KDM4EALDH1A1HSD17B10GLAGAA | |
| SCHEMBL8829284 | 0.65 | ALDH1A1 (0.38) | KDM4EALDH1A1HSD17B10GLAGAA | |
| SCHEMBL27835946 | 0.65 | ALDH1A1 (0.41) | KDM4EALDH1A1HSD17B10GLAGAA | |
| SCHEMBL16376210 | 0.65 | ADORA3 (0.33) | ADORA3KDM4EALDH1A1HPGDMAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-2271648-B1 | ISOXAZOLINE LINKED PYRROLO [2,1-C][1,4]BENZODIAZEPINE HYBRIDS AS POTENTIAL ANTICANCER AGENTS AND THE PROCESS FOR PREPARATTION THEREOF | COUNCIL SCIENT IND RES (IN) | 2013-02-13 | — | — | EP | claimed |
| EP-2271648-A1 | ISOXAZOLINE LINKED PYRROLO [2,1-C][1,4]BENZODIAZEPINE HYBRIDS AS POTENTIAL ANTICANCER AGENTS AND THE PROCESS FOR PREPARATTION THEREOF | Council of Scientific & Industrial Research (IN) | 2011-01-12 | — | — | EP | claimed |
| WO-2009118748-A1 | ISOXAZOLINE LINKED PYRROLO[2,1-C[1,4]BENZODIAZEPINE HYBRIDS AS POTENTIAL ANTICANCER AGENTS AND THE PROCESS FOR PREPARATION THEREOF | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2009-10-01 | — | — | WO | claimed |
| EP-2271648-B1 | ISOXAZOLINE LINKED PYRROLO [2,1-C][1,4]BENZODIAZEPINE HYBRIDS AS POTENTIAL ANTICANCER AGENTS AND THE PROCESS FOR PREPARATTION THEREOF | COUNCIL SCIENT IND RES (IN) | 2013-02-13 | — | — | EP | disclosed |
| EP-2271648-A1 | ISOXAZOLINE LINKED PYRROLO [2,1-C][1,4]BENZODIAZEPINE HYBRIDS AS POTENTIAL ANTICANCER AGENTS AND THE PROCESS FOR PREPARATTION THEREOF | Council of Scientific & Industrial Research (IN) | 2011-01-12 | — | — | EP | disclosed |
| WO-2009118748-A1 | ISOXAZOLINE LINKED PYRROLO[2,1-C[1,4]BENZODIAZEPINE HYBRIDS AS POTENTIAL ANTICANCER AGENTS AND THE PROCESS FOR PREPARATION THEREOF | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2009-10-01 | — | — | WO | disclosed |