Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM2 | Q14416 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | KDM1A | O60341 | 4/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 4/20 | 0.39 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | KIF11 | P52732 | 1/20 | 0.38 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.38 |
| ▸ | PIM1 | P11309 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8082279 | 0.87 | MAOA (0.41) | ALDH1A1CA1CA2CA9 | |
| SCHEMBL1117961 | 0.85 | PTGS2 (0.42) | GRM2ALDH1A1CA1CA2CA9 | |
| SCHEMBL4908035 | 0.81 | MAOB (0.44) | ALDH1A1CA12CA9ACHE | |
| SCHEMBL28728505 | 0.80 | RAPGEF4 (0.37) | ALDH1A1CA1CA2CA9 | |
| SCHEMBL778954 | 0.80 | PTGS2 (0.42) | GRM2ACHE | |
| SCHEMBL3151094 | 0.79 | HDAC7 (0.49) | ALDH1A1CA12CA2CA9PIM1 | |
| SCHEMBL6026961 | 0.78 | CA12 (0.45) | CA12CA1CA2CA9HSD11B1 | |
| SCHEMBL5608505 | 0.78 | TSHR (0.44) | ALDH1A1BCHEACHE | |
| SCHEMBL10372894 | 0.77 | ALKBH3 (0.50) | GRM2ALDH1A1ACHE | |
| SCHEMBL10484477 | 0.77 | RXRA (0.49) | ALDH1A1CA12CA1CA2CA9 |
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 |
|---|---|---|---|---|---|---|---|
| US-6235938-B1 | ARYLATION IN THE PRESENCE OF A BASE AND TRANSITION METAL CATALYSTS TO FORM N-ARYLAMINE AND GROUP 8 METAL | YALE UNIVERSITY | 2001-05-22 | — | — | US | disclosed |