Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 8/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.50 |
| ▸ | ITK | Q08881 | 1/20 | 0.46 |
| ▸ | HSP90AA1 | P07900 | 6/20 | 0.46 |
| ▸ | HSP90AB1 | P08238 | 5/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.42 |
| ▸ | AURKA | O14965 | 1/20 | 0.42 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.42 |
| ▸ | JAK2 | O60674 | 1/20 | 0.42 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.42 |
| ▸ | PAK4 | O96013 | 1/20 | 0.42 |
| ▸ | ABL1 | P00519 | 1/20 | 0.42 |
| ▸ | LCK | P06239 | 1/20 | 0.42 |
| ▸ | RET | P07949 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9307137 | 0.89 | HPGD (0.56) | HPGDALDH1A1LMNACHEK2ITK | |
| Alcohol SCHEMBL29112770 | 0.80 | TDP1 (0.61) | HPGDALDH1A1CHEK2HSP90AA1TDP1 | |
| SCHEMBL17821410 | 0.79 | HSP90AA1 (0.51) | HPGDALDH1A1LMNACHEK2HSP90AA1 | |
| SCHEMBL7795900 | 0.78 | PKN1 (0.64) | HPGDALDH1A1LMNAHSP90AA1TDP1 | |
| SCHEMBL766093 | 0.77 | HSP90AA1 (0.66) | HPGDALDH1A1CHEK2HSP90AA1TDP1 | |
| SCHEMBL1250247 | 0.76 | DGAT1 (0.58) | HPGDALDH1A1LMNACHEK2ITK | |
| SCHEMBL7868231 | 0.76 | CHEK2 (0.60) | CHEK2 | |
| SCHEMBL7868225 | 0.76 | HSP90AA1 (0.47) | HPGDALDH1A1CHEK2HSP90AA1TDP1 | |
| SCHEMBL29242251 | 0.76 | HSP90AA1 (0.64) | HPGDALDH1A1CHEK2HSP90AA1TDP1 | |
| SCHEMBL6217370 | 0.75 | HTT (0.64) | HPGDALDH1A1LMNAHSP90AA1TDP1 |
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 6 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-4652653-A | Process for the preparation of β-(benzothiazolylthio)- and β-(benzimidazolylthio)-carboxylic acid derivatives | CIBA-GEIGY CORPORATION (US) | 1987-03-24 | — | — | US | disclosed |
| US-4612378-A | Process for the preparation of β-(benzothiazolylthio)- and β-(benzimidazolylthio-carboxylic acids | CIBA-GEIGY CORPORATION (US) | 1986-09-16 | — | — | US | disclosed |
| EP-0161220-A2 | Process for the preparation of beta-(benzothiazolylthio) and beta (benzimidazolylthio)carboxylic-acid derivatives | CIBA-GEIGY AG (CH) | 1985-11-13 | — | — | EP | disclosed |
| EP-0129506-A2 | Heterocyclically substituted thio(cyclo)alkane polycarboxylic acids | CIBA-GEIGY AG (CH) | 1984-12-27 | — | — | EP | disclosed |
| EP-0126030-A2 | Process for the preparation of beta-(benzothiazolylthio) and beta-(benzimidazolylthio) carboxylic acids | CIBA-GEIGY AG (CH) | 1984-11-21 | — | — | EP | disclosed |