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 | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.50 |
| ▸ | BAZ2A | Q9UIF9 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | CA12 | O43570 | 5/20 | 0.44 |
| ▸ | CA1 | P00915 | 5/20 | 0.44 |
| ▸ | CA2 | P00918 | 5/20 | 0.44 |
| ▸ | CA7 | P43166 | 5/20 | 0.44 |
| ▸ | CA9 | Q16790 | 5/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 5/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL68329 | 0.96 | TSHR (0.57) | TSHRBAZ2BBAZ2AALDH1A1HSD17B10 | |
| SCHEMBL4874001 | 0.89 | TSHR (0.50) | TSHRBAZ2BBAZ2AALDH1A1HSD17B10 | |
| SCHEMBL14565677 | 0.89 | TSHR (0.50) | TSHRBAZ2BBAZ2AALDH1A1HSD17B10 | |
| SCHEMBL18092383 | 0.86 | TSHR (0.52) | TSHRBAZ2BBAZ2AALDH1A1HSD17B10 | |
| SCHEMBL1568194 | 0.83 | ALDH1A1 (0.54) | TSHRBAZ2BBAZ2AALDH1A1HSD17B10 | |
| SCHEMBL10103741 | 0.83 | TSHR (0.44) | TSHRBAZ2BBAZ2AALDH1A1HSD17B10 | |
| Hydrochloric Acid SCHEMBL1567430 | 0.82 | ALDH1A1 (0.53) | TSHRBAZ2BBAZ2AALDH1A1HSD17B10 | |
| SCHEMBL21874122 | 0.79 | BAZ2B (0.47) | TSHRBAZ2BBAZ2AALDH1A1HSD17B10 | |
| SCHEMBL8871467 | 0.79 | BAZ2B (0.47) | TSHRBAZ2BBAZ2AALDH1A1HSD17B10 | |
| SCHEMBL16740490 | 0.78 | TSHR (0.43) | TSHRBAZ2BBAZ2AALDH1A1HSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3071571-A1 | PYRROLOPYRROLONE DERIVATIVES AND THEIR USE AS BET INHIBITORS | Novartis AG (CH) | 2016-09-28 | — | — | EP | disclosed |
| WO-2015075665-A1 | PYRROLOPYRROLONE DERIVATIVES AND THEIR USE AS BET INHIBITORS | NOVARTIS AG (CH) | 2015-05-28 | — | — | WO | disclosed |