Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MGLL | Q99685 | 3/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.36 |
| ▸ | KMO | O15229 | 1/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | GP6 | Q9HCN6 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.35 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.35 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.35 |
| ▸ | LPL | P06858 | 1/20 | 0.34 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.34 |
| ▸ | AGXT | P21549 | 1/20 | 0.34 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.34 |
| ▸ | FEN1 | P39748 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Hydrogen Sulfide SCHEMBL28009272 | 0.98 | MAOA (0.40) | MAOAALDH1A1MGLLHDAC8KMO | |
| SCHEMBL11281313 | 0.82 | MAOA (0.44) | MAOAALDH1A1MGLLHDAC8KMO | |
| SCHEMBL28741356 | 0.80 | MAOA (0.43) | MAOAALDH1A1MGLLHDAC8KMO | |
| SCHEMBL21770501 | 0.80 | TAAR1 (0.39) | HDAC8CYP3A4CYP2C9HSD17B1HSD17B2 | |
| SCHEMBL19114099 | 0.79 | ALDH1A1 (0.45) | ALDH1A1MGLLLPLLIPGCYP3A4 | |
| SCHEMBL12445057 | 0.79 | ALDH1A1 (0.45) | ALDH1A1MGLLLPLLIPGCYP3A4 | |
| SCHEMBL5014672 | 0.79 | SYK (0.39) | CYP3A4CYP2C9HSD17B1HSD17B2PTPN1 | |
| SCHEMBL23569386 | 0.78 | MAOA (0.46) | MAOAALDH1A1MGLLHDAC8KMO | |
| SCHEMBL20048800 | 0.78 | MAOA (0.46) | MAOAALDH1A1MGLLHDAC8KMO | |
| Methylphenylsulfoxide SCHEMBL3383118 | 0.78 | — | — |
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-3315486-A1 | METHOD FOR PRODUCING AROMATIC COMPOUND | Tosoh Corporation (JP) | 2018-05-02 | — | — | EP | disclosed |
| WO-2018065611-A1 | 2-AMINO-N-(ARYLSULFINYL)-ACETAMIDE COMPOUNDS AS INHIBITORS OF BACTERIAL AMINOACYL-TRNA SYNTHETASE | Oxford Drug Design Limited (GB) | 2018-04-12 | — | — | WO | disclosed |