Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 3/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | ACACA | Q13085 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9811144 | 0.80 | — | — | |
| SCHEMBL20275971 | 0.75 | NPC1 (0.42) | NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL27051734 | 0.70 | ALDH1A1 (0.46) | CYP2C19NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL28339425 | 0.70 | MAPT (0.35) | NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL9306298 | 0.68 | HPGD (0.58) | CYP2C9CYP2C19NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL5085937 | 0.68 | CA2 (0.43) | — | |
| SCHEMBL31250073 | 0.68 | CA2 (0.43) | — | |
| SCHEMBL30933285 | 0.67 | — | — | |
| SCHEMBL11222373 | 0.67 | — | — | |
| SCHEMBL29157734 | 0.65 | — | — |
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 |