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 | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | CA7 | P43166 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.41 |
| ▸ | HTR2A | P28223 | 4/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | FLT1 | P17948 | 1/20 | 0.39 |
| ▸ | FLT4 | P35916 | 1/20 | 0.39 |
| ▸ | KDR | P35968 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8536628 | 0.96 | CA12 (0.42) | CA12CA1CA2CA7CA9 | |
| SCHEMBL29768449 | 0.81 | SLC6A4 (0.54) | CA12CA1CA2CA7CA9 | |
| SCHEMBL1145316 | 0.81 | SLC6A4 (0.54) | CA12CA1CA2CA7CA9 | |
| SCHEMBL12325069 | 0.75 | HSP90AA1 (0.56) | CA12CA1CA2CA7CA9 | |
| Potassium Ion SCHEMBL11423611 | 0.74 | GPR3 (0.43) | CYP1A2MAPTHSD17B10SLC6A2SLC6A3 | |
| SCHEMBL29587997 | 0.73 | CA12 (0.62) | CA12CA1CA2CA7CA9 | |
| SCHEMBL197088 | 0.73 | CA12 (0.62) | CA12CA1CA2CA7CA9 | |
| SCHEMBL2205828 | 0.73 | MAPT (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL29807652 | 0.72 | ENPP2 (0.48) | CA12CA1CA2CA7CA9 | |
| SCHEMBL1236491 | 0.72 | ALDH1A1 (0.66) | CYP1A2CYP2A6ALDH1A1KDM4EMEN1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0954299-B1 | THYROXINE ANALOGUES HAVING NO SIGNIFICANT HORMONAL ACTIVITY FOR TREATING MALIGNANT TUMOURS | OCTAMER INC (US) | 2005-07-27 | — | — | EP | disclosed |
| US-6326402-B1 | AROMATIC ESTER COMPOUND | OCTAMER, INC. | 2001-12-04 | — | — | US | disclosed |
| US-6303621-B1 | ADMINISTERING DIIODO THYRONINE ANALOGUE HAVING NO SIGNIFICANT HORMONAL ACTIVITY AND A VINCA ALKALOID SELECTED FROM LEUROSINE, VINCALEUKOBLASTINE, VINBLASTINE, LEUROFORMINE, LEUROSIDINE, LEUROCRISTINE, VINCRISTINE, DEOXY VINBLASTINE | OCTAMER, INC. | 2001-10-16 | — | — | US | disclosed |
| EP-0954299-A4 | METHOD OF TREATING MALIGNANT TUMORS WITH THYROXINE ANALOGUES HAVING NO SIGNIFICANT HORMONAL ACTIVITY | OCTAMER INC (US) | 2000-09-06 | — | — | EP | disclosed |
| WO-2000009114-A1 | METHODS FOR TREATING VIRAL INFECTIONS USING A COMPOUND CAPABLE OF INHIBITING MICROTUBULES | OCTAMER, INC. (US) | 2000-02-24 | — | — | WO | disclosed |
| US-6017958-A | A THERAPEUTIC TREATMENT USING A METHYL ALKYLOXY- OR THIO-PHENYL BENZOATE, AS POTENT, SELECTIVE AND NON-TOXIC ANTI-TUMOR AGENTS FOR TREATING CANCER | OCTAMER, INC. (US) | 2000-01-25 | — | — | US | disclosed |
| EP-0954299-A1 | METHOD OF TREATING MALIGNANT TUMORS WITH THYROXINE ANALOGUES HAVING NO SIGNIFICANT HORMONAL ACTIVITY | Octamer, Inc. (US) | 1999-11-10 | — | — | EP | disclosed |
| WO-1997046228-A9 | METHOD OF TREATING MALIGNANT TUMORS WITH THYROXINE ANALOGUES HAVING NO SIGNIFICANT HORMONAL ACTIVITY | — | 1998-04-23 | — | — | WO | disclosed |
| US-5736576-A | ADMINISTERING METHYL 3,5-DIIODO-4-(4*-METHOXYPHENOXY)BENZOATE | OCTAMER, INC. (US) | 1998-04-07 | — | — | US | disclosed |
| WO-1997046228-A1 | METHOD OF TREATING MALIGNANT TUMORS WITH THYROXINE ANALOGUES HAVING NO SIGNIFICANT HORMONAL ACTIVITY | OCTAMER, INC. (US) | 1997-12-11 | — | — | WO | disclosed |