Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | XBP1 | P17861 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 4/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.43 |
| ▸ | HSPA5 | P11021 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL5464370 | 0.83 | ALDH1A1 (0.45) | ALDH1A1MAPK1NPSR1GAAXBP1 | |
| SCHEMBL8028498 | 0.82 | HSPA5 (0.55) | ALDH1A1MAPK1NPSR1GAAXBP1 | |
| SCHEMBL29404283 | 0.82 | HSPA5 (0.55) | ALDH1A1MAPK1NPSR1GAAXBP1 | |
| SCHEMBL8955360 | 0.80 | HIF1A (0.61) | ALDH1A1MAPK1NPSR1GAAXBP1 | |
| SCHEMBL29500375 | 0.80 | HSPA5 (0.66) | ALDH1A1MAPK1NPSR1GAAXBP1 | |
| SCHEMBL466567 | 0.80 | CYP2C19 (0.50) | ALDH1A1MAPK1NPSR1GAAXBP1 | |
| SCHEMBL39554 | 0.80 | HSPA5 (0.66) | ALDH1A1MAPK1NPSR1GAAXBP1 | |
| SCHEMBL30903568 | 0.80 | HSPA5 (0.66) | ALDH1A1MAPK1NPSR1GAAXBP1 | |
| SCHEMBL16207718 | 0.79 | CYP2C19 (0.59) | ALDH1A1MAPK1NPSR1GAAXBP1 | |
| SCHEMBL31043275 | 0.79 | ALDH1A1 (0.47) | ALDH1A1MAPK1NPSR1GAAXBP1 |
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-2008052288-A1 | DITHIOLE COMPOUNDS AS COX INHIBITORS | NEURO THERAPEUTICS LIMITED (AU) | 2008-05-08 | — | — | WO | disclosed |