Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.44 |
| ▸ | PNMT | P11086 | 6/20 | 0.38 |
| ▸ | DRD2 | P14416 | 3/20 | 0.38 |
| ▸ | DRD3 | P35462 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.33 |
| ▸ | RYR2 | Q92736 | 1/20 | 0.33 |
| ▸ | KDM1A | O60341 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3772410 | 0.77 | HSD17B3 (0.43) | DRD2DRD3HSD17B3RYR2MAPT | |
| SCHEMBL20123522 | 0.76 | HSD17B3 (0.46) | HSD17B3CA1CA2MAPT | |
| SCHEMBL20123635 | 0.76 | HSD17B3 (0.46) | TRPA1PNMTHSD17B3RYR2CA1 | |
| SCHEMBL20123676 | 0.76 | HSD17B3 (0.46) | TSHRHSD17B3RYR2CA1CA2 | |
| SCHEMBL6739755 | 0.75 | — | — | |
| Bromide SCHEMBL17202846 | 0.73 | PNMT (0.52) | TRPA1PNMTDRD2DRD3KDM1A | |
| SCHEMBL31441011 | 0.73 | SMN1; SMN2 (0.53) | TRPA1PNMTDRD2DRD3TSHR | |
| SCHEMBL2355804 | 0.73 | SMN1; SMN2 (0.53) | TRPA1PNMTDRD2DRD3TSHR | |
| SCHEMBL16385821 | 0.71 | DRD2 (0.39) | PNMTDRD2DRD3TSHRTP53 | |
| SCHEMBL30950987 | 0.69 | PNMT (0.52) | TRPA1PNMTDRD2DRD3KDM1A |
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 |
|---|---|---|---|---|---|---|---|
| US-4778897-A | 6H-dibenz[b,e][1,4]oxathiepin compounds | MERCK & CO., INC. (US) | 1988-10-18 | — | — | US | disclosed |