Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 10/20 | 0.35 |
| ▸ | CDK9 | P50750 | 1/20 | 0.35 |
| ▸ | PRPS1 | P60891 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | PTGER1 | P34995 | 2/20 | 0.32 |
| ▸ | TNF | P01375 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | CASP1 | P29466 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | BRD4 | O60885 | 1/20 | 0.31 |
| ▸ | ACACB | O00763 | 1/20 | 0.31 |
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 | 0.86 | BRD4 (0.35) | AAK1CDK9PRPS1ALDH1A1HPGD | |
| SCHEMBL4916244 | 0.86 | CRHBP (0.36) | CDK9ALDH1A1HPGDTNFKDM4E | |
| SCHEMBL4642278 | 0.82 | ALDH1A1 (0.39) | AAK1CDK9PRPS1ALDH1A1TNF | |
| SCHEMBL4641222 | 0.81 | MTNR1A (0.45) | AAK1CDK9ALDH1A1HPGDMEN1 | |
| SCHEMBL4640258 | 0.78 | BRD4 (0.35) | AAK1CDK9ALDH1A1TNFKDM4E | |
| SCHEMBL4768461 | 0.77 | ALDH1A1 (0.38) | AAK1CDK9ALDH1A1HPGDTNF | |
| SCHEMBL4911401 | 0.75 | NPC1 (0.45) | CDK9ALDH1A1MEN1KMT2ABRD4 | |
| SCHEMBL4915386 | 0.74 | CRHBP (0.35) | AAK1ALDH1A1HPGDKDM4EMEN1 | |
| SCHEMBL4640617 | 0.74 | ALDH1A1 (0.40) | AAK1CDK9ALDH1A1HPGDKDM4E | |
| SCHEMBL4914665 | 0.74 | ALDH1A1 (0.40) | AAK1CDK9ALDH1A1HPGDKDM4E |
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 |