Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.35 |
| ▸ | CUL4A | Q13619 | 1/20 | 0.35 |
| ▸ | TYMS | P04818 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4603481 | 0.99 | KDM4E (0.39) | KDM4EALDH1A1HPGDHSD17B10MEN1 | |
| SCHEMBL4604974 | 0.81 | PARP1 (0.46) | KDM4EHPGDHSD17B10MEN1KMT2A | |
| SCHEMBL4907498 | 0.78 | KDM4E (0.44) | KDM4EALDH1A1HPGDHSD17B10MEN1 | |
| Hydrochloric Acid SCHEMBL4914353 | 0.77 | KDM4E (0.43) | KDM4EALDH1A1HPGDHSD17B10MEN1 | |
| SCHEMBL20472000 | 0.74 | BRD4 (0.47) | ALDH1A1MEN1KMT2APKM | |
| SCHEMBL4777812 | 0.73 | TP53 (0.39) | KDM4EALDH1A1HPGDHSD17B10KMT2A | |
| SCHEMBL4604722 | 0.70 | CA2 (0.44) | KDM4EALDH1A1HPGDHSD17B10MEN1 | |
| SCHEMBL9542969 | 0.70 | KDM4E (0.40) | KDM4EALDH1A1HPGDHSD17B10KMT2A | |
| SCHEMBL4607622 | 0.68 | LMNA (0.40) | KDM4EALDH1A1HPGDMEN1KMT2A | |
| SCHEMBL4089116 | 0.68 | SMN1; SMN2 (0.52) | KDM4EALDH1A1HPGDMEN1KMT2A |
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-1943229-A1 | BENZIMIDAZOLE DERIVATIVES FOR USE AS BETA-3 RECEPTOR AGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2008-07-16 | — | — | EP | disclosed |
| WO-2007048842-A1 | BENZIMIDAZOLE DERIVATIVES FOR USE AS BETA-3 RECEPTOR AGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-05-03 | — | — | WO | disclosed |