Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO2 | P16083 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.49 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.46 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.46 |
| ▸ | PGR | P06401 | 1/20 | 0.45 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 4/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | MAOA | P21397 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | KDM4A | O75164 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL10696147 | 0.88 | NQO2 (0.61) | NQO2SMN1; SMN2PDK2PDK4PGR | |
| SCHEMBL9313195 | 0.88 | MAPK14 (0.47) | NQO2SMN1; SMN2PDK2PDK4PGR | |
| SCHEMBL10586429 | 0.86 | MAPK14 (0.49) | NQO2PDK2PDK4PGRMAPK14 | |
| SCHEMBL9376571 | 0.86 | CYP26A1 (0.52) | NQO2SMN1; SMN2MAPK14MEN1KMT2A | |
| SCHEMBL9377394 | 0.83 | RAB9A (0.53) | PGRMAPK14MEN1KMT2AMAPT | |
| SCHEMBL9377389 | 0.83 | HDAC1 (0.49) | NQO2SMN1; SMN2PGRMAPK14MAPT | |
| SCHEMBL9313814 | 0.82 | MAOA (0.45) | PDK2PDK4PGRMAPK14MEN1 | |
| SCHEMBL6620114 | 0.82 | CA12 (0.49) | NQO2SMN1; SMN2PDK2MEN1KMT2A | |
| SCHEMBL31714594 | 0.82 | ALDH1A1 (0.48) | NQO2SMN1; SMN2PDK2MEN1KMT2A | |
| SCHEMBL9312304 | 0.81 | GSK3B (0.53) | SMN1; SMN2PDK2PDK4PGRMEN1 |
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 |