Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD1 | P21728 | 5/20 | 0.52 |
| ▸ | DRD5 | P21918 | 4/20 | 0.52 |
| ▸ | DRD2 | P14416 | 6/20 | 0.51 |
| ▸ | DRD3 | P35462 | 3/20 | 0.51 |
| ▸ | MAOB | P27338 | 2/20 | 0.51 |
| ▸ | DRD4 | P21917 | 4/20 | 0.51 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.49 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.49 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.49 |
| ▸ | ESR1 | P03372 | 1/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL5525452 | 0.91 | DRD1 (0.57) | DRD1DRD5DRD2DRD3MAOB | |
| SCHEMBL25206715 | 0.86 | DRD1 (0.50) | DRD1DRD5DRD2DRD3MAOB | |
| SCHEMBL16827562 | 0.86 | DRD1 (0.50) | DRD1DRD5DRD2DRD3MAOB | |
| SCHEMBL16827433 | 0.86 | MAOB (0.70) | DRD1DRD5DRD2DRD3MAOB | |
| SCHEMBL29500325 | 0.86 | MAOB (0.70) | DRD1DRD5DRD2DRD3MAOB | |
| SCHEMBL28457628 | 0.85 | DRD1 (0.62) | DRD1DRD5DRD2DRD3MAOB | |
| SCHEMBL5518165 | 0.83 | DRD1 (0.50) | DRD1DRD5DRD2DRD3DRD4 | |
| SCHEMBL10534781 | 0.83 | CETP (0.48) | MAOBDRD4KMT2AMEN1 | |
| SCHEMBL29500341 | 0.83 | EED (0.59) | DRD1DRD5DRD2DRD3MAOB | |
| SCHEMBL2948505 | 0.81 | AKR1C3 (0.56) | DRD1DRD5DRD2DRD3MAOB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4717724-A | FUNGICIDES, ANTIPROTOZOA, BACTERICIDES | HOECHST AKTIENGESELLSCHAFT (DE) | 1988-01-05 | — | — | US | disclosed |
| EP-0121753-A2 | 1-(1,3-Dioxolan-2-ylmethyl)-azoles, their salts, processes for their preparation and pharmaceutical compositions containing them | HOECHST AKTIENGESELLSCHAFT (DE) | 1984-10-17 | — | — | EP | disclosed |