Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.33 |
| ▸ | CKS1B | P61024 | 1/20 | 0.32 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.32 |
| ▸ | RXRA | P19793 | 1/20 | 0.32 |
| ▸ | RXRB | P28702 | 1/20 | 0.32 |
| ▸ | RXRG | P48443 | 1/20 | 0.32 |
| ▸ | CETP | P11597 | 2/20 | 0.32 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.31 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.30 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL29606519 | 0.90 | ALDH1A1 (0.36) | CKS1BSKP2RXRARXRBRXRG | |
| SCHEMBL462590 | 0.90 | ALDH1A1 (0.36) | CKS1BSKP2RXRARXRBRXRG | |
| SCHEMBL31568878 | 0.90 | ALDH1A1 (0.36) | CKS1BSKP2RXRARXRBRXRG | |
| SCHEMBL15119998 | 0.85 | ALDH1A1 (0.33) | CKS1BSKP2CRHR1ALDH1A1CYP1A2 | |
| SCHEMBL470717 | 0.81 | PTGS2 (0.40) | PTGS2ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL29698706 | 0.78 | CETP (0.32) | CETP | |
| SCHEMBL458412 | 0.71 | ALDH1A1 (0.41) | ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL30018007 | 0.71 | ALDH1A1 (0.41) | ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL30017862 | 0.71 | ALDH1A1 (0.41) | ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL29739853 | 0.71 | AR (0.39) | — |
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-2012031358-A1 | BIARYL DIPHOSPHINE LIGANDS, INTERMEDIATES OF THE SAME AND THEIR USE IN ASYMMETRIC CATALYSIS | KANATA CHEMICAL TECHNOLOGIES INC. (CA) | 2012-03-15 | — | — | WO | disclosed |