Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.31 |
| ▸ | CA14 | Q9ULX7 | 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 | |
|---|---|---|---|---|
| SCHEMBL4239331 | 0.81 | CA2 (0.50) | ALDH1A1HSD17B10CA12CA1CA2 | |
| SCHEMBL30232448 | 0.81 | CA2 (0.50) | ALDH1A1HSD17B10CA12CA1CA2 | |
| SCHEMBL27886889 | 0.81 | PNMT (0.44) | — | |
| SCHEMBL27675520 | 0.80 | CA2 (0.49) | CA12CA1CA2CA7CA14 | |
| SCHEMBL25511720 | 0.77 | ALDH1A1 (0.42) | ALDH1A1HSD17B10CA12CA1CA2 | |
| SCHEMBL22400697 | 0.74 | PKM (0.34) | ALDH1A1TDP1CA12CA1CA2 | |
| SCHEMBL275807 | 0.71 | CA1 (0.33) | CA1CA2 | |
| SCHEMBL11506043 | 0.70 | STS (0.43) | ALDH1A1HSD17B10TDP1CA12CA1 | |
| SCHEMBL27792974 | 0.70 | ALDH1A1 (0.31) | ALDH1A1HSD17B10TDP1CA12CA1 | |
| SCHEMBL1786889 | 0.70 | HTR2C (0.38) | ALDH1A1TDP1CA1CA2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2456435-A1 | HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE | The Board of Trustees of The Leland Stanford Junior University (US) | 2012-05-30 | — | — | EP | disclosed |
| WO-2011011514-A1 | HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE | THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) | 2011-01-27 | — | — | WO | disclosed |