Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DAO | P14920 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | PARP1 | P09874 | 2/20 | 0.40 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.40 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.39 |
| ▸ | MYC | P01106 | 1/20 | 0.38 |
| ▸ | DPP4 | P27487 | 1/20 | 0.38 |
| ▸ | WEE1 | P30291 | 1/20 | 0.37 |
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | DDB1 | Q16531 | 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 | |
|---|---|---|---|---|
| SCHEMBL112742 | 0.82 | GSK3B (0.52) | DAOCA1CA2CA7CA9 | |
| SCHEMBL29485716 | 0.82 | GSK3B (0.52) | DAOCA1CA2CA7CA9 | |
| SCHEMBL28230330 | 0.82 | CA2 (0.41) | DAOCA1CA2CA7CA9 | |
| Hydrochloric Acid SCHEMBL29864773 | 0.80 | GSK3B (0.50) | DAOCA1CA2CA7CA9 | |
| SCHEMBL30364460 | 0.80 | GSK3B (0.50) | DAOCA1CA2CA7CA9 | |
| SCHEMBL29025704 | 0.80 | GSK3B (0.50) | DAOCA1CA2CA7CA9 | |
| Hydrochloric Acid SCHEMBL7736928 | 0.80 | GSK3B (0.50) | DAOCA1CA2CA7CA9 | |
| Phthalimide SCHEMBL8855990 | 0.78 | GSK3B (0.60) | DAOCA1CA2CA7CA9 | |
| Phthalimide SCHEMBL28208909 | 0.78 | GSK3B (0.60) | DAOCA1CA2CA7CA9 | |
| SCHEMBL29198937 | 0.78 | PDK2 (0.40) | DAOPARP1DPP4WEE1GSK3B |
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 |
|---|---|---|---|---|---|---|---|
| CN-107778205-A | A kind of method for preparing 3 methyl mercapto propylamine | 北京工商大学 | 2018-03-09 | — | — | CN | disclosed |
| WO-2001030154-A2 | AGROCHEMICAL COMPOSITIONS CONTAINING PYRAZOLES AND USE THEREOF AS FUNGICIDAL PLANT PROTECTION AGENTS | BASF AKTIENGESELLSCHAFT (DE) | 2001-05-03 | — | — | WO | disclosed |
| WO-1998046683-A1 | COATING COMPOSITIONS COMPRISING BUSOXINONE | JANSSEN PHARMACEUTICA N.V. (BE) | 1998-10-22 | — | — | WO | disclosed |
| EP-0808102-A1 | FUNGICIDE | BASF AKTIENGESELLSCHAFT (DE) | 1997-11-26 | — | — | EP | disclosed |
| WO-1996024249-A1 | FUNGICIDE | BASF AKTIENGESELLSCHAFT (DE) | 1996-08-15 | — | — | WO | disclosed |
| EP-0337815-A1 | 1-dimethylcarbamoyl-3-substituted-5-substituted-1H-1,2,4-triazoles | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1989-10-18 | — | — | EP | disclosed |
| EP-0261421-A2 | Method for the extraction of non-polar ingredients from hops | Hopfen-Extraktion HVG Barth, Raiser und Co. (DE) | 1988-03-30 | — | — | EP | disclosed |