Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.38 |
| ▸ | RAB9A | P51151 | 5/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | STAT1 | P42224 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 5/20 | 0.37 |
| ▸ | PPARA | Q07869 | 5/20 | 0.37 |
| ▸ | PPARD | Q03181 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | TACR3 | P29371 | 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 | |
|---|---|---|---|---|
| SCHEMBL9811133 | 1.00 | NPC1 (0.38) | NPC1RAB9ASMN1; SMN2L3MBTL1ALDH1A1 | |
| SCHEMBL9811109 | 0.94 | NPC1 (0.39) | NPC1RAB9ASMN1; SMN2L3MBTL1ALDH1A1 | |
| SCHEMBL9811099 | 0.92 | ALDH1A1 (0.38) | NPC1RAB9ASMN1; SMN2L3MBTL1ALDH1A1 | |
| SCHEMBL9811129 | 0.92 | L3MBTL1 (0.37) | NPC1RAB9ASMN1; SMN2L3MBTL1ALDH1A1 | |
| SCHEMBL9811004 | 0.92 | L3MBTL1 (0.37) | NPC1RAB9ASMN1; SMN2L3MBTL1ALDH1A1 | |
| SCHEMBL9810999 | 0.86 | SMN1; SMN2 (0.42) | NPC1RAB9ASMN1; SMN2PPARGPPARA | |
| SCHEMBL11023174 | 0.85 | S1PR1 (0.37) | NPC1RAB9ASMN1; SMN2L3MBTL1NFKB1 | |
| SCHEMBL9811107 | 0.85 | L3MBTL1 (0.38) | NPC1RAB9ASMN1; SMN2L3MBTL1ALDH1A1 | |
| SCHEMBL9811095 | 0.83 | CASR (0.37) | NPC1RAB9ASMN1; SMN2L3MBTL1ALDH1A1 | |
| SCHEMBL9810997 | 0.80 | KDM4E (0.43) | NPC1RAB9ASMN1; SMN2ALDH1A1CYP1A2 |
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 |