Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKN1 | Q16512 | 1/20 | 0.50 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.50 |
| ▸ | SIRT2 | Q8IXJ6 | 5/20 | 0.49 |
| ▸ | SIRT1 | Q96EB6 | 4/20 | 0.49 |
| ▸ | SIRT3 | Q9NTG7 | 2/20 | 0.49 |
| ▸ | ESR1 | P03372 | 6/20 | 0.49 |
| ▸ | LMNA | P02545 | 3/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.49 |
| ▸ | RNASEL | Q05823 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL9306370 | 0.90 | ESR1 (0.49) | ESR1LMNACYP1A2TSHRCYP2C19 | |
| SCHEMBL7795900 | 0.87 | PKN1 (0.64) | PKN1PKN2SIRT2SIRT1SIRT3 | |
| SCHEMBL11246607 | 0.85 | CYP1A2 (0.55) | PKN1PKN2SIRT2SIRT1SIRT3 | |
| SCHEMBL6217370 | 0.80 | HTT (0.64) | PKN1PKN2LMNACYP1A2MAPK1 | |
| SCHEMBL19118043 | 0.79 | TSHR (0.49) | PKN1PKN2SIRT2SIRT1SIRT3 | |
| SCHEMBL16134548 | 0.77 | LMNA (0.51) | LMNACYP1A2TSHRCYP2C19CYP2D6 | |
| SCHEMBL31317898 | 0.77 | LMNA (0.52) | ESR1LMNACYP1A2TSHRCYP2C19 | |
| SCHEMBL9178141 | 0.77 | LMNA (0.52) | ESR1LMNACYP1A2TSHRCYP2C19 | |
| SCHEMBL7795891 | 0.76 | HCRTR1 (0.53) | PKN1PKN2SIRT2SIRT1SIRT3 | |
| Alcohol SCHEMBL29112770 | 0.76 | TDP1 (0.61) | MAPK1SMN1; SMN2MAPTL3MBTL1HPGD |
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 7 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 |
| EP-0161220-B1 | PROCESS FOR THE PREPARATION OF BETA-(BENZOTHIAZOLYLTHIO) AND BETA (BENZIMIDAZOLYLTHIO)CARBOXYLIC-ACID DERIVATIVES | CIBA-GEIGY AG (CH) | 1991-08-14 | — | — | EP | 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 |