Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | DAO | P14920 | 1/20 | 0.42 |
| ▸ | FEN1 | P39748 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | PNP | P00491 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | ELANE | P08246 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28217562 | 0.82 | GAA (0.60) | GAADAOKMT2AKDM4EPNP | |
| SCHEMBL5071828 | 0.81 | LTB4R (0.50) | GAADAOFEN1KMT2AALDH1A1 | |
| Hydrochloric Acid SCHEMBL28217163 | 0.81 | GAA (0.58) | GAADAOKMT2AKDM4EPNP | |
| SCHEMBL13469303 | 0.81 | GAA (0.46) | GAADAOFEN1KMT2AKDM4E | |
| SCHEMBL9307943 | 0.81 | DAO (0.46) | GAADAOFEN1KMT2AKDM4E | |
| SCHEMBL10835916 | 0.78 | DAO (0.41) | GAADAOKMT2AKDM4EALDH1A1 | |
| SCHEMBL13453683 | 0.77 | KDM4E (0.42) | GAADAOFEN1KMT2AKDM4E | |
| SCHEMBL5872387 | 0.76 | L3MBTL1 (0.53) | GAADAOFEN1KMT2AKDM4E | |
| SCHEMBL7564206 | 0.75 | GAA (0.44) | GAADAOFEN1KMT2AKDM4E | |
| SCHEMBL9306184 | 0.74 | GAA (0.42) | GAADAOKMT2AKDM4EALDH1A1 |
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 |