Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.39 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | DAGLA | Q9Y4D2 | 1/20 | 0.38 |
| ▸ | BCHE | P06276 | 1/20 | 0.37 |
| ▸ | TRPC3 | Q13507 | 1/20 | 0.37 |
| ▸ | TRPC4 | Q9UBN4 | 1/20 | 0.37 |
| ▸ | TRPC5 | Q9UL62 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | ATP4A | P20648 | 1/20 | 0.35 |
| ▸ | ATP4B | P51164 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11018472 | 1.00 | NPC1 (0.39) | NPC1RAB9ASPHK2SPHK1ALDH1A1 | |
| SCHEMBL11018492 | 0.92 | SPHK2 (0.43) | NPC1RAB9ASPHK2SPHK1ALDH1A1 | |
| SCHEMBL11019370 | 0.92 | SPHK2 (0.43) | NPC1RAB9ASPHK2SPHK1ALDH1A1 | |
| SCHEMBL11018499 | 0.80 | ALDH1A1 (0.43) | NPC1RAB9ASPHK2SPHK1ALDH1A1 | |
| SCHEMBL11023485 | 0.78 | NPSR1 (0.42) | NPC1RAB9AALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL11017240 | 0.78 | ALDH1A1 (0.38) | NPC1RAB9ASPHK2SPHK1ALDH1A1 | |
| SCHEMBL11016752 | 0.77 | FAAH (0.38) | ALDH1A1NPSR1 | |
| SCHEMBL9811004 | 0.77 | L3MBTL1 (0.37) | NPC1RAB9AALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL11018442 | 0.77 | FAAH (0.38) | ALDH1A1NPSR1 | |
| SCHEMBL11020176 | 0.76 | NPSR1 (0.40) | NPC1RAB9AALDH1A1SMN1; SMN2KDM4E |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0161219-A2 | Heterocyclic mercaptocarboxylic-acid esters and anhydrides as corrosion inhibiting agents | CIBA-GEIGY AG (CH) | 1985-11-13 | — | — | EP | disclosed |