Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 10/20 | 0.66 |
| ▸ | MEN1 | O00255 | 2/20 | 0.66 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.66 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.66 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.66 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.66 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | RORC | P51449 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9217124 | 0.88 | AKR1B1 (0.59) | AKR1B1MEN1KMT2ACYP1A2CYP2C9 | |
| Ponalrestat SCHEMBL29498248 | 0.80 | AKR1B1 (1.00) | AKR1B1MEN1KMT2ACYP1A2CYP2C9 | |
| Ponalrestat SCHEMBL49154 | 0.80 | AKR1B1 (1.00) | AKR1B1MEN1KMT2ACYP1A2CYP2C9 | |
| Ponalrestat SCHEMBL30350285 | 0.80 | AKR1B1 (1.00) | AKR1B1MEN1KMT2ACYP1A2CYP2C9 | |
| SCHEMBL9212231 | 0.78 | AKR1B1 (0.73) | AKR1B1MEN1KMT2ACYP1A2CYP2C9 | |
| SCHEMBL11175078 | 0.77 | AKR1B1 (0.82) | AKR1B1MEN1KMT2ACYP1A2CYP2C9 | |
| SCHEMBL11165597 | 0.76 | AKR1B1 (0.77) | AKR1B1MEN1KMT2ACYP1A2CYP2C9 | |
| Ponalrestat SCHEMBL11166654 | 0.76 | AKR1B1 (0.80) | AKR1B1MEN1KMT2ACYP1A2CYP2C9 | |
| Ponalrestat SCHEMBL10702188 | 0.76 | AKR1B1 (0.80) | AKR1B1MEN1KMT2ACYP1A2CYP2C9 | |
| SCHEMBL9541301 | 0.76 | AKR1B1 (0.64) | AKR1B1MEN1KMT2ACYP1A2CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1995003053-A1 | OXOPHTHALAZINES FOR TREATING CACHEXIA | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1995-02-02 | — | — | WO | disclosed |