Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.45 |
| ▸ | CA1 | P00915 | 3/20 | 0.45 |
| ▸ | CA2 | P00918 | 3/20 | 0.45 |
| ▸ | CA9 | Q16790 | 3/20 | 0.45 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | FPR1 | P21462 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | MLYCD | O95822 | 1/20 | 0.33 |
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.32 |
| ▸ | CACNB3 | P54284 | 1/20 | 0.32 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.32 |
| ▸ | PGR | P06401 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | HTR2B | P41595 | 1/20 | 0.32 |
| ▸ | CACNA2D2 | Q9NY47 | 1/20 | 0.32 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.31 |
| ▸ | SLC1A3 | P43003 | 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 | |
|---|---|---|---|---|
| SCHEMBL2886330 | 0.81 | CA1 (0.56) | CA12CA1CA2CA9ALDH1A1 | |
| Hydrochloric Acid SCHEMBL11601843 | 0.79 | CA1 (0.54) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL10828032 | 0.78 | CA12 (0.45) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL3985289 | 0.78 | GLRA1 (0.37) | GABRR1ALDH1A1HDAC1HDAC6 | |
| SCHEMBL1583059 | 0.78 | CA12 (0.45) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL16246930 | 0.77 | CA12 (0.43) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL4696805 | 0.76 | TSHR (0.32) | — | |
| SCHEMBL25175802 | 0.75 | CA1 (0.50) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL969491 | 0.75 | CA12 (0.50) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL3541127 | 0.75 | — | — |
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-2010129864-A9 | METHODS AND COMPOSITIONS FOR STUDYING, IMAGING, AND TREATING PAIN | THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) | 2012-03-08 | — | — | WO | disclosed |