Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.42 |
| ▸ | NPC1 | O15118 | 5/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | RAB9A | P51151 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 5/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | STAT1 | P42224 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL9811178 | 0.92 | NPC1 (0.38) | SMN1; SMN2NPC1ALDH1A1RAB9AKDM4E | |
| SCHEMBL9811027 | 0.86 | MAPT (0.40) | SMN1; SMN2NPC1ALDH1A1RAB9AKDM4E | |
| SCHEMBL9811091 | 0.85 | NPC1 (0.41) | SMN1; SMN2NPC1ALDH1A1RAB9AKDM4E | |
| Potassium Ion SCHEMBL9811290 | 0.83 | MAPT (0.40) | SMN1; SMN2NPC1ALDH1A1RAB9AKDM4E | |
| SCHEMBL9811025 | 0.76 | CASR (0.41) | SMN1; SMN2NPC1ALDH1A1RAB9AKDM4E | |
| SCHEMBL9811089 | 0.76 | CASR (0.39) | SMN1; SMN2NPC1ALDH1A1RAB9AMAPT | |
| SCHEMBL9811001 | 0.74 | CASR (0.44) | ALDH1A1KDM4EMAPTKMT2AMEN1 | |
| Potassium Ion SCHEMBL9811283 | 0.74 | CASR (0.41) | SMN1; SMN2NPC1ALDH1A1RAB9AKDM4E | |
| Zinc Ion SCHEMBL9811236 | 0.73 | MAPT (0.42) | SMN1; SMN2NPC1ALDH1A1RAB9AKDM4E | |
| SCHEMBL28565003 | 0.68 | CASR (0.47) | SMN1; SMN2NPC1ALDH1A1RAB9AMAPK1 |
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 |