Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 5/20 | 0.31 |
| ▸ | CA2 | P00918 | 5/20 | 0.31 |
| ▸ | CA9 | Q16790 | 3/20 | 0.31 |
| ▸ | CA12 | O43570 | 2/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.31 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.31 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.31 |
| ▸ | LPAR2 | Q9HBW0 | 1/20 | 0.31 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.30 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.30 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL459987 | 0.82 | MAOB (0.34) | ALDH1A1TSHRHSD17B10LMNASMN1; SMN2 | |
| SCHEMBL10073381 | 0.81 | PTGS2 (0.42) | PTGS2L3MBTL1ALDH1A1TUBB1 | |
| SCHEMBL14337939 | 0.72 | CYP3A4 (0.39) | ALDH1A1TUBB1CA1CA2CA9 | |
| SCHEMBL14337960 | 0.71 | — | — | |
| SCHEMBL6413134 | 0.71 | ALDH1A1 (0.40) | ALDH1A1TAS1R3TAS1R1 | |
| SCHEMBL8429647 | 0.71 | PTGS2 (0.64) | PTGS2L3MBTL1ALDH1A1TUBB1CA1 | |
| SCHEMBL14337941 | 0.70 | CYP3A4 (0.33) | ALDH1A1CA1CA2CA9CA12 | |
| SCHEMBL14337978 | 0.70 | — | — | |
| SCHEMBL12309883 | 0.69 | PTGS2 (0.76) | PTGS2ALDH1A1TUBB1ALOX15TSHR | |
| SCHEMBL14337963 | 0.69 | LMNA (0.33) | LMNA |
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 |