Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
| ▸ | CA4 | P22748 | 2/20 | 0.32 |
| ▸ | CA6 | P23280 | 2/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CA5A | P35218 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.32 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.32 |
| ▸ | GUSB | P08236 | 1/20 | 0.32 |
| ▸ | PLCG1 | P19174 | 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 | |
|---|---|---|---|---|
| SCHEMBL8375198 | 0.84 | ALDH1A1 (0.42) | ALDH1A1HSD17B10TDP1GAATRPV4 | |
| SCHEMBL10593283 | 0.84 | ALDH1A1 (0.42) | ALDH1A1HSD17B10TDP1GAATRPV4 | |
| SCHEMBL1501079 | 0.80 | ALDH1A1 (0.43) | ALDH1A1HSD17B10TDP1GAACA1 | |
| SCHEMBL250199 | 0.77 | ALDH1A1 (0.55) | ALDH1A1HSD17B10TDP1GAATRPV4 | |
| SCHEMBL5683257 | 0.77 | MAPT (0.46) | ALDH1A1HSD17B10TDP1CA1CA2 | |
| SCHEMBL8666124 | 0.76 | ALDH1A1 (0.43) | ALDH1A1HSD17B10TDP1GAACA1 | |
| SCHEMBL11757103 | 0.75 | ALDH1A1 (0.35) | ALDH1A1HSD17B10TDP1TRPV4 | |
| SCHEMBL10718630 | 0.75 | ALDH1A1 (0.36) | ALDH1A1HSD17B10TDP1TRPV4CA1 | |
| SCHEMBL8411120 | 0.75 | S100A4 (0.38) | ALDH1A1HSD17B10TDP1GAATRPV4 | |
| SCHEMBL9711640 | 0.72 | PTGS2 (0.45) | ALDH1A1HSD17B10TDP1CA1CA2 |
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-2013033310-A1 | MODULATORS OF REV-ERB | KAMENECKA THEODORE MARK (US) | 2013-03-07 | — | — | WO | disclosed |