Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | AHR | P35869 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL470702 | 0.92 | PTGS2 (0.38) | PTGS2LMNASMN1; SMN2NPC1ALDH1A1 | |
| SCHEMBL457816 | 0.89 | LMNA (0.40) | LMNASMN1; SMN2NPC1AHRRAB9A | |
| SCHEMBL10073381 | 0.84 | PTGS2 (0.42) | PTGS2ALDH1A1CYP1A2CYP3A4KMT2A | |
| SCHEMBL458358 | 0.81 | MAPT (0.43) | LMNANPC1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL458557 | 0.77 | ALDH1A1 (0.41) | LMNASMN1; SMN2NPC1AHRRAB9A | |
| SCHEMBL458609 | 0.77 | KMT2A (0.50) | LMNASMN1; SMN2NPC1RAB9AALDH1A1 | |
| SCHEMBL470696 | 0.76 | KMT2A (0.45) | LMNASMN1; SMN2NPC1AHRRAB9A | |
| SCHEMBL458326 | 0.72 | CYP1A2 (0.39) | LMNAALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL15121106 | 0.71 | LMNA (0.35) | LMNASMN1; SMN2ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL10073380 | 0.71 | POLB (0.39) | PTGS2ALDH1A1CYP1A2CYP3A4POLB |
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 |