Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | GSK3B | P49841 | 1/20 | 0.49 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 4/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL14185293 | 0.87 | ALDH1A1 (0.50) | ALDH1A1TRPA1MAPK1GSK3BHIF1A | |
| SCHEMBL4603757 | 0.81 | ESR1 (0.53) | ESR1ALDH1A1MAPK1PKMLMNA | |
| SCHEMBL812682 | 0.74 | PKM (0.79) | ESR1ALDH1A1PKMHDAC6LMNA | |
| SCHEMBL6496987 | 0.72 | KMT2A (0.53) | ALDH1A1TRPA1MAPK1GSK3BHIF1A | |
| SCHEMBL7250273 | 0.72 | KMT2A (0.53) | ALDH1A1TRPA1MAPK1GSK3BHIF1A | |
| SCHEMBL7914241 | 0.71 | CA1 (0.58) | ALDH1A1TRPA1MAPK1GSK3BHIF1A | |
| SCHEMBL8663009 | 0.71 | PKM (0.58) | ESR1ALDH1A1PKMLMNASMN1; SMN2 | |
| SCHEMBL4606413 | 0.70 | HDAC2 (0.60) | HDAC6MEN1KMT2A | |
| SCHEMBL8973992 | 0.70 | ALDH1A1 (0.57) | ALDH1A1LMNASMN1; SMN2HTTHSD11B1 | |
| SCHEMBL11874771 | 0.70 | ALDH1A1 (0.51) | ALDH1A1TRPA1MAPK1GSK3BHIF1A |
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 6 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 |
| EP-1943220-A2 | NOVEL INDOLE-CONTAINING BETA AGONISTS, METHOD FOR PRODUCING THEM AND THEIR USE AS DRUGS | Boehringer Ingelheim International GmbH (DE) | 2008-07-16 | — | — | EP | disclosed |
| EP-1943227-A1 | NOVEL BETA-AGONISTS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS | Boehringer Ingelheim International GmbH (DE) | 2008-07-16 | — | — | EP | disclosed |
| WO-2007048840-A1 | NOVEL BETA-AGONISTS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-05-03 | — | — | WO | disclosed |
| WO-2007048842-A1 | BENZIMIDAZOLE DERIVATIVES FOR USE AS BETA-3 RECEPTOR AGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-05-03 | — | — | WO | disclosed |
| WO-2007048841-A2 | NOVEL INDOLE-CONTAINING BETA AGONISTS, METHOD FOR PRODUCING THEM AND THEIR USE AS DRUGS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-05-03 | — | — | WO | disclosed |