Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CDC7 | O00311 | 1/20 | 0.34 |
| ▸ | PGR | P06401 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 3/20 | 0.32 |
| ▸ | TDO2 | P48775 | 2/20 | 0.32 |
| ▸ | GSK3B | P49841 | 1/20 | 0.32 |
| ▸ | PDE5A | O76074 | 1/20 | 0.32 |
| ▸ | CCKBR | P32239 | 1/20 | 0.31 |
| ▸ | TNKS | O95271 | 1/20 | 0.31 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.31 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.31 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.31 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.31 |
| ▸ | BRD4 | O60885 | 2/20 | 0.30 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9831454 | 0.86 | MAPT (0.42) | KDM4EALDH1A1HSD17B10GAATSHR | |
| SCHEMBL9834483 | 0.81 | IDO1 (0.35) | GAAPGRIDO1TDO2PDE5A | |
| SCHEMBL9833215 | 0.80 | ALDH1A1 (0.41) | KDM4EALDH1A1HSD17B10GAATSHR | |
| SCHEMBL9831075 | 0.79 | KDM4E (0.40) | KDM4EALDH1A1HSD17B10GAATSHR | |
| SCHEMBL9830572 | 0.76 | ALDH1A1 (0.42) | KDM4EALDH1A1HSD17B10GAATSHR | |
| SCHEMBL9832287 | 0.75 | KDM4E (0.41) | KDM4EALDH1A1HSD17B10GAATSHR | |
| SCHEMBL9834376 | 0.75 | PGR (0.47) | KDM4EALDH1A1HSD17B10KMT2APGR | |
| SCHEMBL9832940 | 0.74 | KDM4E (0.49) | KDM4EALDH1A1HSD17B10GAATSHR | |
| SCHEMBL10471688 | 0.74 | KDM4E (0.38) | KDM4EALDH1A1HSD17B10GAATSHR | |
| SCHEMBL10569328 | 0.73 | PGR (0.41) | KDM4EALDH1A1HSD17B10PGRGSK3B |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0161632-B1 | PYRROLO-BENZIMIDAZOLES, PROCESS FOR THEIR PREPARATION, MEDICAMENTS CONTAINING THEM AND INTERMEDIATES | Roche Diagnostics GmbH (DE) | 1991-04-10 | — | — | EP | disclosed |
| US-4963686-A | INTERMEDIATES FOR INOTROPIC AGENTS | BOEHRINGER MANNHEIM GMBH (DE) | 1990-10-16 | — | — | US | disclosed |
| EP-0161632-A2 | Pyrrolo-benzimidazoles, process for their preparation, medicaments containing them and intermediates | Roche Diagnostics GmbH (DE) | 1985-11-21 | — | — | EP | disclosed |