Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 12/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 11/20 | 0.60 |
| ▸ | HPGD | P15428 | 9/20 | 0.60 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.60 |
| ▸ | MAOA | P21397 | 1/20 | 0.54 |
| ▸ | MCL1 | Q07820 | 3/20 | 0.53 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | THRB | P10828 | 1/20 | 0.53 |
| ▸ | STS | P08842 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.51 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 4/20 | 0.50 |
| ▸ | CA12 | O43570 | 2/20 | 0.50 |
| ▸ | GLA | P06280 | 2/20 | 0.50 |
| ▸ | CASP1 | P29466 | 2/20 | 0.50 |
| ▸ | CASP7 | P55210 | 2/20 | 0.50 |
| ▸ | CA9 | Q16790 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL377454 | 0.85 | ALDH1A1 (0.64) | ALDH1A1KDM4EHPGDHSD17B10MAOA | |
| SCHEMBL7913359 | 0.81 | ALDH1A1 (0.60) | ALDH1A1KDM4EHPGDHSD17B10MAOA | |
| SCHEMBL30636721 | 0.81 | ALDH1A1 (0.64) | ALDH1A1KDM4EHPGDHSD17B10MAOA | |
| SCHEMBL67818 | 0.81 | ALDH1A1 (0.64) | ALDH1A1KDM4EHPGDHSD17B10MAOA | |
| SCHEMBL27523022 | 0.79 | ALDH1A1 (0.62) | ALDH1A1KDM4EHPGDHSD17B10MAOA | |
| SCHEMBL17861315 | 0.78 | ALDH1A1 (0.60) | ALDH1A1KDM4EHPGDHSD17B10MAOA | |
| SCHEMBL10603419 | 0.78 | ALDH1A1 (0.60) | ALDH1A1KDM4EHPGDHSD17B10MAOA | |
| SCHEMBL128001 | 0.78 | KDM4E (0.74) | ALDH1A1KDM4EHPGDHSD17B10MAOA | |
| SCHEMBL19501076 | 0.78 | PIM1 (0.64) | ALDH1A1KDM4EHPGDHSD17B10MAOA | |
| SCHEMBL4925609 | 0.78 | ALDH1A1 (0.74) | ALDH1A1KDM4EHPGDHSD17B10MAOA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005082884-A2 | 2-PYRIDIN-2YL-PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF GASTRO-ESOPHAGEA L REFLUX DISEASE | ASTRAZENECA AB (SE) | 2005-09-09 | — | — | WO | disclosed |
| WO-2005051380-A1 | SUBSTITUTED UREA-OCTAHYDROINDOLS AS ANTAGONISTS OF MELANIN CONCENTRATING HORMONE RECEPTOR 1 (MCH1R) | BIOVITRUM AB (SE) | 2005-06-09 | — | — | WO | disclosed |