Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 1/20 | 0.46 |
| ▸ | DRD2 | P14416 | 8/20 | 0.45 |
| ▸ | DRD3 | P35462 | 8/20 | 0.45 |
| ▸ | DRD4 | P21917 | 6/20 | 0.45 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 4/20 | 0.44 |
| ▸ | CA2 | P00918 | 4/20 | 0.44 |
| ▸ | ACHE | P22303 | 4/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL15961988 | 0.86 | OPRK1 (0.56) | HSD17B1DRD2DRD3DRD4OPRK1 | |
| SCHEMBL9370418 | 0.82 | DRD2 (0.46) | HSD17B1DRD2DRD3DRD4OPRK1 | |
| SCHEMBL7123106 | 0.81 | NOTUM (0.41) | CA1CA2ACHEMEN1KMT2A | |
| SCHEMBL21416642 | 0.80 | CA1 (0.44) | HSD17B1DRD2DRD3DRD4OPRK1 | |
| SCHEMBL2464708 | 0.80 | KMT2A (0.48) | DRD2DRD3DRD4OPRK1CA1 | |
| SCHEMBL935855 | 0.79 | NOTUM (0.42) | CA1CA2ACHE | |
| SCHEMBL12048612 | 0.79 | PNMT (0.46) | — | |
| SCHEMBL27746626 | 0.78 | DRD3 (0.42) | HSD17B1DRD2DRD3DRD4OPRK1 | |
| SCHEMBL434294 | 0.77 | MTNR1A (0.47) | MEN1KMT2A | |
| SCHEMBL9505624 | 0.77 | CA1 (0.63) | HSD17B1DRD2DRD3DRD4CA1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9504675-B2 | Alpha-ketoheterocycles and methods of making and using | THE SCRIPPS RESEARCH INSTITUTE (US) | 2016-11-29 | — | — | US | disclosed |
| EP-0298921-B1 | 1,2-BENZISOXAZOLES AND 1,2-BENZISOTHIAZOLES | CIBA-GEIGY AG (CH) | 1992-12-23 | — | — | EP | disclosed |
| US-4957931-A | ANTICONVULSANTS, TREATMENT OF EPILEPSY | CIBA-GEIGY CORPORATION (US) | 1990-09-18 | — | — | US | disclosed |
| US-4859691-A | Certain 1,2-benzisoxazole derivatives | CIBA-GEIGY CORPORATION (US) | 1989-08-22 | — | — | US | disclosed |