Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.38 |
| ▸ | GLA | P06280 | 5/20 | 0.38 |
| ▸ | GAA | P10253 | 5/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.33 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.33 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | RET | P07949 | 1/20 | 0.32 |
| ▸ | MET | P08581 | 1/20 | 0.32 |
| ▸ | LTK | P29376 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL375596 | 0.92 | ADORA3 (0.47) | ADORA3ALOX15KDM4EALDH1A1GLA | |
| SCHEMBL3714621 | 0.70 | KDM4E (0.44) | ADORA3ALOX15KDM4EALDH1A1GLA | |
| SCHEMBL25271465 | 0.69 | MGLL (0.36) | ALDH1A1GAAPARP1L3MBTL1 | |
| SCHEMBL3464453 | 0.69 | — | — | |
| SCHEMBL16376209 | 0.69 | ADORA3 (0.36) | ADORA3ALOX15KDM4EALDH1A1GLA | |
| SCHEMBL19533508 | 0.69 | KDM4E (0.44) | KDM4EALDH1A1GAAPARP1MAPT | |
| SCHEMBL277146 | 0.68 | ALOX15 (0.36) | ALOX15KDM4EALDH1A1GLAGAA | |
| SCHEMBL18161339 | 0.68 | MAPT (0.49) | ADORA3KDM4EALDH1A1GLAGAA | |
| SCHEMBL4213865 | 0.67 | DYRK1B (0.39) | ALOX15PARP1CHEK1LIMK1RET | |
| SCHEMBL277389 | 0.67 | ALOX15 (0.40) | ADORA3ALOX15KDM4EALDH1A1GLA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2648757-A1 | PYRROLO[2,1-C][1,4]BENZODIAZEPINE LINKED IMIDAZO[1,5-A]PYRIDINE CONJUGATES AS POTENTIAL ANTITUMOUR AGENTS AND PROCESS FOR THE PREPARATION THEREOF | Council Of Scientific & Industrial Research (IN) | 2013-10-16 | — | — | EP | claimed |
| WO-2012076941-A1 | PYRROLO[2,1-C][1,4]BENZODIAZEPINE LINKED IMIDAZO[1,5-A]PYRIDINE CONJUGATES AS POTENTIAL ANTITUMOUR AGENTS AND PROCESS FOR THE PREPARATION THEREOF | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2012-06-14 | — | — | WO | claimed |