Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.51 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.31 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.31 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.31 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.31 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5141015 | 0.85 | HDAC3 (0.56) | HDAC3HSD17B3PARP1ESR1ESR2 | |
| SCHEMBL10868161 | 0.82 | HDAC3 (0.60) | HDAC3HSD17B3PARP1ESR1ESR2 | |
| SCHEMBL1128054 | 0.81 | HDAC3 (0.48) | HDAC3HSD17B3PARP1ESR1ESR2 | |
| SCHEMBL14166796 | 0.81 | HDAC3 (0.48) | HDAC3HSD17B3PARP1ESR1ESR2 | |
| SCHEMBL10489558 | 0.81 | HDAC3 (0.48) | HDAC3HSD17B3PARP1ESR1ESR2 | |
| Iodide SCHEMBL10482528 | 0.79 | HDAC3 (0.47) | HDAC3HSD17B3PARP1ESR1ESR2 | |
| Hydrochloric Acid SCHEMBL507702 | 0.79 | HDAC3 (0.47) | HDAC3HSD17B3PARP1ESR1ESR2 | |
| Hydrochloric Acid SCHEMBL2111158 | 0.79 | HDAC3 (0.47) | HDAC3HSD17B3PARP1ESR1ESR2 | |
| Bromide SCHEMBL4225369 | 0.79 | HDAC3 (0.47) | HDAC3HSD17B3PARP1ESR1ESR2 | |
| SCHEMBL14637926 | 0.79 | HDAC3 (0.69) | HDAC3HSD17B3PARP1ESR1ESR2 |
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-3253752-B1 | [9,10-DIMETHOXY-3-(2-METHYLPROPYL)-1H,2H,3H,4H,6H,7H,11BH-PYRIDO-[2,1-A]ISOQUINOLIN-2-YL]METHANOL AND COMPOUNDS, COMPOSITIONS AND METHODS RELATING THERETO | NEUROCRINE BIOSCIENCES INC (US) | 2023-08-16 | — | — | EP | disclosed |