Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.38 |
| ▸ | CTSK | P43235 | 2/20 | 0.34 |
| ▸ | NAMPT | P43490 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 3/20 | 0.32 |
| ▸ | CA12 | O43570 | 2/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.32 |
| ▸ | CA7 | P43166 | 2/20 | 0.32 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.30 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL16125928 | 0.88 | CA14 (0.39) | CA14CTSKNAMPTCA1CA12 | |
| SCHEMBL13779865 | 0.85 | CA14 (0.40) | CA14CTSKNAMPTCA1CA12 | |
| SCHEMBL27268544 | 0.85 | CA14 (0.43) | CA14HDAC1HDAC2HDAC6MAPK1 | |
| SCHEMBL27268565 | 0.85 | CA14 (0.43) | CA14HDAC1HDAC2HDAC6MAPK1 | |
| SCHEMBL19497389 | 0.85 | MEN1 (0.30) | MEN1KMT2A | |
| SCHEMBL27268570 | 0.85 | CA14 (0.43) | CA14HDAC1HDAC2HDAC6MAPK1 | |
| SCHEMBL18689839 | 0.83 | CA14 (0.36) | CA14CTSKNAMPTCA1CA12 | |
| SCHEMBL26894468 | 0.83 | CA14 (0.39) | CA14HDAC1HDAC2HDAC6 | |
| SCHEMBL19246067 | 0.82 | CA14 (0.36) | CA14CTSKCA1CA12HDAC1 | |
| SCHEMBL20084023 | 0.82 | CA14 (0.48) | CA14HDAC1HDAC2HDAC6SSTR4 |
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-2012031024-A1 | BICYCLIC OXAZOLE AND THIAZOLE COMPOUNDS AND THEIR USE AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS | VANDERBILT UNIVERSITY (US) | 2012-03-08 | — | — | WO | disclosed |