Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.36 |
| ▸ | PGR | P06401 | 4/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | KMO | O15229 | 1/20 | 0.33 |
| ▸ | RARA | P10276 | 1/20 | 0.33 |
| ▸ | RARB | P10826 | 1/20 | 0.33 |
| ▸ | RARG | P13631 | 1/20 | 0.33 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.33 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.33 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9533254 | 0.85 | BACE1 (0.42) | BACE1RAB9AALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL7436519 | 0.84 | BACE1 (0.41) | BACE1RAB9AALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL1012423 | 0.84 | BACE1 (0.46) | BACE1PTPN1ALDH1A1GLANPSR1 | |
| SCHEMBL28638788 | 0.72 | ALDH1A1 (0.42) | PTPN1RAB9AALDH1A1CYP1A2CYP3A4 | |
| Dehydroacetic Acid SCHEMBL10424121 | 0.70 | MEN1 (0.42) | PTPN1PGRRAB9AALDH1A1CYP3A4 | |
| SCHEMBL28660694 | 0.70 | BACE1 (0.54) | BACE1RAB9AALDH1A1MEN1KMT2A | |
| SCHEMBL8323836 | 0.69 | BACE1 (0.65) | BACE1RAB9AALDH1A1CYP1A2NPSR1 | |
| SCHEMBL13516583 | 0.69 | BACE1 (0.56) | BACE1RAB9ACYP1A2MEN1MAPT | |
| Acetone SCHEMBL18784619 | 0.69 | KMO (0.52) | PTPN1CYP1A2CYP3A4KMOMEN1 | |
| SCHEMBL6841467 | 0.68 | MAPT (0.46) | PGRALDH1A1KMOCACNA1BAPBA1 |
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-1991011448-A1 | THERAPEUTIC AGENTS | THE BOOTS COMPANY PLC (GB) | 1991-08-08 | — | — | WO | disclosed |