Known targets — ChEMBL curated mechanism
AGTR1DHFRGABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTNR3C2PBP2XPTGS1PTGS2VKORC1blablaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAftsImrcAmrcBmrdApbp1apbp1bpbp2apbp2bpbp3polthyA
The experimentally established mechanism targets of Ponalrestat. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 15/20 | 0.80 |
| ▸ | MEN1 | O00255 | 1/20 | 0.80 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.80 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.80 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.80 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.80 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Ponalrestat SCHEMBL11166654 | 0.98 | AKR1B1 (0.80) | AKR1B1MEN1CYP1A2CYP2C9KMT2A | |
| Ponalrestat SCHEMBL49154 | 0.89 | AKR1B1 (1.00) | AKR1B1MEN1CYP1A2CYP2C9KMT2A | |
| Ponalrestat SCHEMBL30350285 | 0.89 | AKR1B1 (1.00) | AKR1B1MEN1CYP1A2CYP2C9KMT2A | |
| Ponalrestat SCHEMBL29498248 | 0.89 | AKR1B1 (1.00) | AKR1B1MEN1CYP1A2CYP2C9KMT2A | |
| SCHEMBL11175078 | 0.88 | AKR1B1 (0.82) | AKR1B1MEN1CYP1A2CYP2C9KMT2A | |
| SCHEMBL11165597 | 0.85 | AKR1B1 (0.77) | AKR1B1MEN1CYP1A2CYP2C9KMT2A | |
| SCHEMBL11162987 | 0.84 | AKR1B1 (0.74) | AKR1B1MEN1CYP1A2CYP2C9KMT2A | |
| SCHEMBL9212231 | 0.83 | AKR1B1 (0.73) | AKR1B1MEN1CYP1A2CYP2C9KMT2A | |
| SCHEMBL11171124 | 0.82 | AKR1B1 (0.75) | AKR1B1MEN1CYP1A2CYP2C9KMT2A | |
| SCHEMBL9215996 | 0.81 | AKR1B1 (0.69) | AKR1B1MEN1CYP1A2CYP2C9KMT2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0296695-A2 | Hypouricaemic agent containing ponalrestat | ICI AMERICAS INC. (US) | 1988-12-28 | — | — | EP | claimed |