Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | CASP1 | P29466 | 4/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | CASP7 | P55210 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 5/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 7/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 4/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.39 |
| ▸ | NPEPPS | P55786 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9832844 | 0.89 | KDM4E (0.40) | KDM4EALDH1A1CASP1MAPTCASP7 | |
| SCHEMBL9831490 | 0.88 | KDM4E (0.37) | KDM4EALDH1A1CASP1MAPTCASP7 | |
| SCHEMBL9835044 | 0.87 | SMN1; SMN2 (0.41) | KDM4EALDH1A1TSHRGAASMN1; SMN2 | |
| SCHEMBL9830269 | 0.87 | KDM4E (0.45) | KDM4EALDH1A1CASP1MAPTCASP7 | |
| Hydrochloric Acid SCHEMBL10470525 | 0.87 | KDM4E (0.36) | KDM4EALDH1A1CASP1MAPTCASP7 | |
| SCHEMBL9834043 | 0.85 | KDM4E (0.42) | KDM4EALDH1A1CASP1MAPTCASP7 | |
| SCHEMBL9830028 | 0.84 | KDM4E (0.41) | KDM4EALDH1A1CASP1MAPTCASP7 | |
| SCHEMBL10567540 | 0.83 | PDE5A (0.32) | KDM4EALDH1A1CASP1MAPTCASP7 | |
| SCHEMBL10567457 | 0.82 | ADORA2B (0.33) | ALDH1A1MAPTTSHRSMN1; SMN2CYP3A4 | |
| SCHEMBL10569956 | 0.82 | ALDH1A1 (0.33) | ALDH1A1MAPTTSHRSMN1; SMN2CYP3A4 |
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-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 |