Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.38 |
| ▸ | FAAH | O00519 | 1/20 | 0.38 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.38 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.38 |
| ▸ | ELANE | P08246 | 1/20 | 0.38 |
| ▸ | PRTN3 | P24158 | 1/20 | 0.38 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA5A | P35218 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CETP | P11597 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Phenylmethanesulfonic Acid SCHEMBL10939774 | 0.94 | ALDH1A1 (0.43) | ALDH1A1HPGDCNR2EPHX2FAAH | |
| Phenylmethanesulfonic Acid SCHEMBL6913609 | 0.83 | DNM1 (0.50) | ALDH1A1HPGDCNR2EPHX2PKM | |
| Phenylmethanesulfonic Acid SCHEMBL4457643 | 0.81 | CNR2 (0.44) | ALDH1A1HPGDCNR2EPHX2PKM | |
| Phenylmethanesulfonic Acid SCHEMBL4464878 | 0.81 | CNR2 (0.44) | ALDH1A1HPGDCNR2EPHX2PKM | |
| Tetrabuthylammonium SCHEMBL1718182 | 0.81 | DNM1 (0.44) | ALDH1A1HPGDCNR2EPHX2PKM | |
| Phenylmethanesulfonic Acid SCHEMBL10966375 | 0.81 | DNM1 (0.53) | ALDH1A1HPGDCNR2EPHX2PKM | |
| Cetrimonium SCHEMBL25264815 | 0.80 | DNM1 (0.51) | DNM1MEN1TP53MAPK1KMT2A | |
| Phenylmethanesulfonic Acid SCHEMBL29142128 | 0.80 | CNR2 (0.46) | ALDH1A1HPGDCNR2EPHX2PKM | |
| Phenylmethanesulfonic Acid SCHEMBL3187399 | 0.80 | DNM1 (0.51) | ALDH1A1HPGDCNR2EPHX2PKM | |
| Tetrabuthylammonium SCHEMBL9450297 | 0.79 | DNM1 (0.42) | ALDH1A1HPGDCNR2EPHX2PKM |
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-0273173-B1 | PROCESS FOR THE PREPARATION OF FATTY ACID NITRILES AND GLYCERIN FROM GLYCERIDES | HOECHST AKTIENGESELLSCHAFT (DE) | 1991-07-03 | — | — | EP | disclosed |
| EP-0273173-A2 | Process for the preparation of fatty acid nitriles and glycerin from glycerides | HOECHST AKTIENGESELLSCHAFT (DE) | 1988-07-06 | — | — | EP | disclosed |