Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | F7 | P08709 | 2/20 | 0.41 |
| ▸ | F3 | P13726 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.41 |
| ▸ | OXER1 | Q8TDS5 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.41 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | PPARG | P37231 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL12723043 | 0.92 | ALDH1A1 (0.37) | ALDH1A1F7F3MAPTCYP19A1 | |
| SCHEMBL4804211 | 0.89 | ALDH1A1 (0.50) | ALDH1A1MAPTLMNAALOX15RECQL | |
| SCHEMBL9807187 | 0.89 | ALDH1A1 (0.50) | ALDH1A1MAPTLMNAALOX15RECQL | |
| SCHEMBL4801706 | 0.89 | ALDH1A1 (0.50) | ALDH1A1MAPTLMNAALOX15RECQL | |
| SCHEMBL9807194 | 0.89 | ALDH1A1 (0.50) | ALDH1A1MAPTLMNAALOX15RECQL | |
| SCHEMBL4801711 | 0.89 | ALDH1A1 (0.50) | ALDH1A1MAPTLMNAALOX15RECQL | |
| SCHEMBL29992683 | 0.83 | ENPP2 (0.36) | ENPP2LPAR2 | |
| SCHEMBL27936182 | 0.82 | ALDH1A1 (0.38) | ALDH1A1ENPP2LPAR2 | |
| Hexane SCHEMBL3352147 | 0.81 | ENPP2 (0.44) | ALDH1A1ENPP2LPAR2 | |
| Hexane SCHEMBL3352152 | 0.81 | ENPP2 (0.44) | ALDH1A1ENPP2LPAR2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018010932-A1 | CATALYTIC CARBOXYLATION OF ACTIVATED ALKANES AND/OR OLEFINS | FUNDACIÓ INSTITUT CATALÀ D'INVESTIGACIÓ QUÍMICA (ES) | 2018-01-18 | — | — | WO | disclosed |