Known targets — ChEMBL curated mechanism
AGTR1DHFRGABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTNR3C2PBP2XPTGS1PTGS2VKORC1blablaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAftsImrcAmrcBmrdApbp1apbp1bpbp2apbp2bpbp3polthyA
The experimentally established mechanism targets of Potassium Ion. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSL | P07711 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 2/20 | 0.49 |
| ▸ | CA1 | P00915 | 2/20 | 0.49 |
| ▸ | CA2 | P00918 | 2/20 | 0.49 |
| ▸ | CA9 | Q16790 | 2/20 | 0.49 |
| ▸ | KDM1A | O60341 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | OXTR | P30559 | 1/20 | 0.43 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | NAMPT | P43490 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | FAAH | O00519 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7662024 | 0.79 | GAA (0.49) | KDM4EGAAL3MBTL1MAPTOXTR | |
| SCHEMBL7665723 | 0.78 | KDM4E (0.47) | KDM4EGAAL3MBTL1MAPTKDM1A | |
| SCHEMBL3704245 | 0.76 | L3MBTL1 (0.56) | KDM4EGAAL3MBTL1MAPTKDM1A | |
| SCHEMBL625919 | 0.75 | CYP2C9 (0.61) | KDM4EGAAL3MBTL1MAPTOXTR | |
| SCHEMBL2632301 | 0.75 | ALDH1A1 (0.57) | KDM4EGAAL3MBTL1MAPTALDH1A1 | |
| SCHEMBL29811285 | 0.75 | ALDH1A1 (0.57) | KDM4EGAAL3MBTL1MAPTALDH1A1 | |
| SCHEMBL763479 | 0.75 | KDM4E (0.51) | KDM4EGAAL3MBTL1MAPTKDM1A | |
| SCHEMBL28000928 | 0.74 | KDM4E (0.59) | KDM4EGAAL3MBTL1MAPTKDM1A | |
| SCHEMBL7657363 | 0.74 | FAAH (0.44) | KDM4EGAAL3MBTL1MAPTOXTR | |
| SCHEMBL9279836 | 0.74 | GAA (0.63) | KDM4EGAAL3MBTL1MAPTKDM1A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6166214-A | Process for preparing pyridylmethyl isothiocyanates | BAYER AKTIENGESELLSCHAFT (DE) | 2000-12-26 | — | — | US | disclosed |
| US-5936093-A | Process for preparing pyridylmethyl isothiocyanates | BAYER AKTIENGESELLSCHAFT (DE) | 1999-08-10 | — | — | US | disclosed |