Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1A | P48039 | 1/20 | 0.45 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.45 |
| ▸ | CDK9 | P50750 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 2/20 | 0.34 |
| ▸ | AAK1 | Q2M2I8 | 3/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | F10 | P00742 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | SLC16A3 | O15427 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4911401 | 0.85 | NPC1 (0.45) | MTNR1AMTNR1BCDK9ALDH1A1POLB | |
| SCHEMBL4642278 | 0.84 | ALDH1A1 (0.39) | MTNR1AMTNR1BCDK9ALDH1A1POLB | |
| SCHEMBL4640355 | 0.84 | MTNR1A (0.49) | MTNR1AMTNR1BCDK9ALDH1A1POLB | |
| SCHEMBL4768461 | 0.83 | ALDH1A1 (0.38) | MTNR1AMTNR1BCDK9ALDH1A1POLB | |
| SCHEMBL4641876 | 0.81 | AAK1 (0.35) | CDK9ALDH1A1HPGDBRD4AAK1 | |
| SCHEMBL4640258 | 0.80 | BRD4 (0.35) | CDK9ALDH1A1POLBMAPTSMN1; SMN2 | |
| SCHEMBL4907499 | 0.79 | NPC1 (0.45) | ALDH1A1POLBMAPTHPGDSMN1; SMN2 | |
| SCHEMBL4890412 | 0.79 | ALDH1A1 (0.39) | MTNR1AMTNR1BCDK9ALDH1A1POLB | |
| SCHEMBL4648898 | 0.79 | BRD4 (0.35) | CDK9ALDH1A1HPGDBRD4AAK1 | |
| SCHEMBL4914665 | 0.77 | ALDH1A1 (0.40) | CDK9ALDH1A1POLBMAPTCA2 |
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 |