Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | LTA4H | P09960 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 3/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3332404 | 0.85 | CA12 (0.47) | CA12CA1CA2CA7CA9 | |
| SCHEMBL3303080 | 0.79 | CYP3A4 (0.44) | CA12CA1CA9ALDH1A1SMN1; SMN2 | |
| SCHEMBL6245366 | 0.77 | MAOB (0.39) | HPGDMAPTPRSS1PRSS2PRSS3 | |
| SCHEMBL3583760 | 0.74 | ALDH1A1 (0.49) | TSHRALDH1A1SMN1; SMN2LMNAGAA | |
| 1,4-Diethoxybenzene SCHEMBL28186701 | 0.69 | NQO1 (1.00) | NQO1CA12CA1CA2CA7 | |
| 1,4-Diethoxybenzene SCHEMBL124015 | 0.69 | NQO1 (1.00) | NQO1CA12CA1CA2CA7 | |
| SCHEMBL8897555 | 0.69 | PRSS1 (0.38) | NQO1CA12CA1CA2CA7 | |
| SCHEMBL13323571 | 0.68 | GPR84 (0.53) | NQO1CA12CA1CA2CA7 | |
| 1,4-Diethoxybenzene SCHEMBL11794798 | 0.67 | NQO1 (0.93) | NQO1CA12CA1CA2CA7 | |
| SCHEMBL9784667 | 0.67 | TDP1 (0.36) | TSHRTDP1ALDH1A1SMN1; SMN2KMT2A |
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-5444056-A | Hypotensive agnets, calcium channel blockers | SANOFI (FR) | 1995-08-22 | — | — | US | disclosed |