Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CPA1 | P15085 | 2/20 | 0.44 |
| ▸ | CPB1 | P15086 | 1/20 | 0.44 |
| ▸ | CPA3 | P15088 | 1/20 | 0.44 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.44 |
| ▸ | PAM | P19021 | 2/20 | 0.42 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.40 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | GRIK1 | P39086 | 2/20 | 0.38 |
| ▸ | RECQL | P46063 | 2/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | TNKS | O95271 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5480228 | 0.81 | CYP1A2 (0.53) | CPA1CPB1CPA3CPB2PAM | |
| SCHEMBL9306061 | 0.77 | ALDH1A1 (0.42) | CPA1CPB1CPA3CPB2GABBR2 | |
| SCHEMBL29279076 | 0.73 | TSHR (0.44) | CPA1CPB1CPA3CPB2GABBR2 | |
| SCHEMBL10382781 | 0.72 | CPA1 (0.41) | CPA1CPB1CPA3CPB2GABBR2 | |
| SCHEMBL6757856 | 0.69 | GABBR2 (0.42) | CPA1CPB1CPA3CPB2GABBR2 | |
| SCHEMBL27695215 | 0.69 | CPA3 (0.55) | CPA1CPB1CPA3CPB2PAM | |
| Malic Acid SCHEMBL2369732 | 0.69 | SMN1; SMN2 (0.56) | CPA1CPB1CPA3CPB2PAM | |
| Biphenyl SCHEMBL7905000 | 0.68 | FFAR1 (0.41) | CPA1CPB1CPA3CPB2CYP1A2 | |
| Aspartic Acid SCHEMBL23242572 | 0.68 | GRIK1 (0.53) | CPA1ALDH1A1GRIK1GRIK2 | |
| SCHEMBL6406292 | 0.68 | ALDH1A1 (0.51) | CPA3PAMCYP1A2TSHRALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5347008-A | Thio(cyclo) alkanepolycarboxylic acids containing heterocyclic substituents | CIBA-GEIGY CORPORATION (US) | 1994-09-13 | — | — | US | disclosed |
| US-5152929-A | Corrosion inhibitors for water systems | CIBA-GEIGY CORPORATION (US) | 1992-10-06 | — | — | US | disclosed |
| EP-0129506-B1 | HETEROCYCLICALLY SUBSTITUTED THIO(CYCLO)ALKANE POLYCARBOXYLIC ACIDS | CIBA-GEIGY AG (CH) | 1991-03-06 | — | — | EP | disclosed |
| EP-0129506-A2 | Heterocyclically substituted thio(cyclo)alkane polycarboxylic acids | CIBA-GEIGY AG (CH) | 1984-12-27 | — | — | EP | disclosed |