Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | CASP1 | P29466 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | CASR | P41180 | 11/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9811014 | 0.89 | CASR (0.47) | ALDH1A1ALOX15TSHRCASP1LMNA | |
| SCHEMBL11020508 | 0.82 | RET (0.38) | ALDH1A1ALOX15TSHRCASP1LMNA | |
| SCHEMBL9811216 | 0.79 | CASR (0.42) | ALDH1A1ALOX15TSHRCASP1LMNA | |
| SCHEMBL10573419 | 0.77 | CASR (0.54) | ALDH1A1LMNAL3MBTL1CASRNPC1 | |
| SCHEMBL9810997 | 0.73 | KDM4E (0.43) | ALDH1A1ALOX15TSHRCASP1CASR | |
| SCHEMBL29516977 | 0.73 | CASR (0.52) | ALDH1A1LMNAL3MBTL1CASRNPC1 | |
| SCHEMBL9036457 | 0.73 | CASR (0.52) | ALDH1A1LMNAL3MBTL1CASRHPGD | |
| SCHEMBL28618566 | 0.73 | CASR (0.52) | ALDH1A1LMNAL3MBTL1CASRNPC1 | |
| SCHEMBL16095839 | 0.73 | CASR (0.52) | ALDH1A1LMNAL3MBTL1CASRNPC1 | |
| SCHEMBL10573605 | 0.73 | CASR (0.55) | ALDH1A1LMNAL3MBTL1CASRNPC1 |
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 |