Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATP4A | P20648 | 11/20 | 0.45 |
| ▸ | ATP4B | P51164 | 11/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CASR | P41180 | 5/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9811093 | 0.91 | ATP4A (0.43) | ATP4AATP4BKDM4ESMN1; SMN2CASR | |
| Trolamine SCHEMBL9811198 | 0.89 | CASR (0.41) | KDM4ESMN1; SMN2CASRNPC1ALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL9811029 | 0.75 | NPC1 (0.38) | SMN1; SMN2CASRNPC1ALDH1A1RAB9A | |
| Methylamine SCHEMBL9811125 | 0.74 | CASR (0.41) | SMN1; SMN2CASRNPC1ALDH1A1RAB9A | |
| Diethylamine SCHEMBL9811193 | 0.73 | NPC1 (0.39) | SMN1; SMN2CASRNPC1ALDH1A1RAB9A | |
| SCHEMBL28565003 | 0.73 | CASR (0.47) | SMN1; SMN2CASRNPC1ALDH1A1RAB9A | |
| SCHEMBL10600426 | 0.72 | ATP4A (0.46) | ATP4AATP4BKDM4ESMN1; SMN2NPC1 | |
| SCHEMBL9811000 | 0.71 | CASR (0.46) | SMN1; SMN2CASRNPC1ALDH1A1RAB9A | |
| SCHEMBL8512287 | 0.69 | ATP4A (0.55) | ATP4AATP4BKDM4ESMN1; SMN2RAB9A | |
| SCHEMBL9811089 | 0.69 | CASR (0.39) | ATP4AATP4BSMN1; SMN2CASRNPC1 |
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-0161219-B1 | HETEROCYCLIC MERCAPTOCARBOXYLIC-ACID ESTERS AND ANHYDRIDES AS CORROSION INHIBITING AGENTS | CIBA-GEIGY AG (CH) | 1991-06-12 | — | — | EP | disclosed |
| EP-0161219-A2 | Heterocyclic mercaptocarboxylic-acid esters and anhydrides as corrosion inhibiting agents | CIBA-GEIGY AG (CH) | 1985-11-13 | — | — | EP | disclosed |