Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | HPGD | P15428 | 6/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 4/20 | 0.37 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | GLS | O94925 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8086969 | 1.00 | — | — | |
| SCHEMBL15877835 | 1.00 | NOS2 (0.43) | NOS2ALDH1A1HPGDGAAPOLB | |
| SCHEMBL9305499 | 1.00 | — | — | |
| SCHEMBL26781597 | 1.00 | NOS2 (0.43) | NOS2ALDH1A1HPGDGAAPOLB | |
| SCHEMBL7381082 | 1.00 | NOS2 (0.43) | NOS2ALDH1A1HPGDGAAPOLB | |
| SCHEMBL353811 | 1.00 | — | — | |
| Water SCHEMBL29376299 | 0.98 | NOS2 (0.41) | NOS2ALDH1A1HPGDGAAPOLB | |
| SCHEMBL3257162 | 0.98 | NOS2 (0.41) | NOS2ALDH1A1HPGDGAAPOLB | |
| SCHEMBL239908 | 0.92 | — | — | |
| SCHEMBL92737 | 0.92 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113614067-A | Process for perhydrolysis of aliphatic epoxides | 德美特 | 2021-11-05 | — | — | CN | disclosed |
| WO-2017136344-A1 | PROCESS FOR PRODUCING C7 COMPOUNDS STARTING FROM 9-HYDROPEROXIDIZED LINOLEIC ACID | INVISTA North America S.à.r.l. (US) | 2017-08-10 | — | — | WO | disclosed |
| US-7394065-B2 | Chemical probe using field-induced droplet ionization mass spectrometry | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2008-07-01 | — | — | US | disclosed |
| US-20060249672-A1 | Chemical probe using field-induced droplet ionization mass spectrometry | NATIONAL SCIENCE FOUNDATION | 2006-11-09 | — | — | US | disclosed |