Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 3/20 | 0.35 |
| ▸ | TRPM5 | Q9NZQ8 | 1/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.33 |
| ▸ | CDK9 | P50750 | 1/20 | 0.32 |
| ▸ | AAK1 | Q2M2I8 | 3/20 | 0.32 |
| ▸ | NR1H4 | Q96RI1 | 3/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | TNF | P01375 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 2/20 | 0.30 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.30 |
| ▸ | PTPRB | P23467 | 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 | |
|---|---|---|---|---|
| SCHEMBL4648898 | 0.87 | BRD4 (0.35) | BRD4CDK9AAK1ALDH1A1KDM4E | |
| SCHEMBL4907971 | 0.85 | TBXAS1 (0.37) | TRPM5ALDH1A1KDM4EHTT | |
| SCHEMBL4638928 | 0.84 | TRPM5 (0.35) | BRD4TRPM5NR1H4TP53GAA | |
| SCHEMBL4641222 | 0.80 | MTNR1A (0.45) | BRD4CDK9AAK1L3MBTL1ALDH1A1 | |
| SCHEMBL4642278 | 0.79 | ALDH1A1 (0.39) | BRD4CDK9AAK1TNFALDH1A1 | |
| SCHEMBL4768461 | 0.78 | ALDH1A1 (0.38) | BRD4CDK9AAK1TP53TNF | |
| SCHEMBL4915386 | 0.78 | CRHBP (0.35) | BRD4AAK1GAAALDH1A1MAPT | |
| SCHEMBL4641876 | 0.78 | AAK1 (0.35) | BRD4CDK9AAK1TNFALDH1A1 | |
| SCHEMBL4911401 | 0.74 | NPC1 (0.45) | BRD4CDK9L3MBTL1ALDH1A1MAPT | |
| SCHEMBL4907499 | 0.74 | NPC1 (0.45) | TP53GAAALDH1A1MAPTSMN1; SMN2 |
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 |