Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | STAT1 | P42224 | 1/20 | 0.46 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.46 |
| ▸ | RELA | Q04206 | 1/20 | 0.46 |
| ▸ | APEX1 | P27695 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 3/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9811202 | 0.93 | ALDH1A1 (0.48) | ALDH1A1HPGDMAPTSMN1; SMN2NPC1 | |
| SCHEMBL10756331 | 0.92 | SMN1; SMN2 (0.48) | ALDH1A1HPGDMAPTSMN1; SMN2NPC1 | |
| SCHEMBL10761935 | 0.91 | ALDH1A1 (0.52) | ALDH1A1HPGDMAPTSMN1; SMN2CYP1A2 | |
| SCHEMBL9811210 | 0.89 | ALDH1A1 (0.50) | ALDH1A1HPGDMAPTSMN1; SMN2NPC1 | |
| SCHEMBL10759198 | 0.88 | ALDH1A1 (0.50) | ALDH1A1HPGDMAPTSMN1; SMN2NPC1 | |
| SCHEMBL9811040 | 0.85 | ALDH1A1 (0.55) | ALDH1A1HPGDMAPTSMN1; SMN2NPC1 | |
| Potassium Ion SCHEMBL9811067 | 0.83 | ALDH1A1 (0.50) | ALDH1A1HPGDMAPTSMN1; SMN2CYP1A2 | |
| SCHEMBL10758534 | 0.82 | HTT (0.60) | ALDH1A1HPGDMAPTSMN1; SMN2NPC1 | |
| SCHEMBL10566963 | 0.82 | HTT (0.60) | ALDH1A1HPGDMAPTSMN1; SMN2NPC1 | |
| SCHEMBL9811081 | 0.81 | ALDH1A1 (0.45) | ALDH1A1HPGDMAPTSMN1; SMN2NPC1 |
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 3 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 |
| US-4696763-A | PAINTS, BLENDS | CIBA-GEIGY CORPORATION (US) | 1987-09-29 | — | — | US | disclosed |
| EP-0161219-A2 | Heterocyclic mercaptocarboxylic-acid esters and anhydrides as corrosion inhibiting agents | CIBA-GEIGY AG (CH) | 1985-11-13 | — | — | EP | disclosed |