Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | NQO2 | P16083 | 1/20 | 0.32 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.31 |
| ▸ | TUBB | P07437 | 1/20 | 0.31 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.31 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.31 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.31 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.31 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.31 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.31 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.31 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.31 |
| ▸ | TUBA1A | Q71U36 | 1/20 | 0.31 |
| ▸ | TUBA1C | Q9BQE3 | 1/20 | 0.31 |
| ▸ | TUBB6 | Q9BUF5 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL458326 | 0.90 | CYP1A2 (0.39) | CYP1A2ALDH1A1CYP3A4NQO2ELANE | |
| SCHEMBL470704 | 0.84 | PTGS2 (0.36) | PTGS2CYP1A2ALDH1A1CYP3A4MEN1 | |
| SCHEMBL470702 | 0.84 | PTGS2 (0.38) | PTGS2CYP1A2ALDH1A1CYP3A4KMT2A | |
| SCHEMBL15121106 | 0.82 | LMNA (0.35) | CYP1A2ALDH1A1CYP3A4MEN1KMT2A | |
| SCHEMBL470730 | 0.81 | PTGS2 (0.45) | PTGS2ALDH1A1TUBB1L3MBTL1 | |
| SCHEMBL459816 | 0.79 | ALDH1A1 (0.31) | CYP1A2ALDH1A1CYP3A4NQO2 | |
| SCHEMBL459987 | 0.77 | MAOB (0.34) | CYP1A2ALDH1A1CYP3A4NQO2 | |
| SCHEMBL458557 | 0.76 | ALDH1A1 (0.41) | CYP1A2ALDH1A1CYP3A4MEN1KMT2A | |
| SCHEMBL458095 | 0.73 | ALDH1A1 (0.36) | PTGS2CYP1A2ALDH1A1CYP3A4ELANE | |
| SCHEMBL457816 | 0.72 | LMNA (0.40) | CYP1A2ALDH1A1CYP3A4KMT2ANQO2 |
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 |