Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 2/20 | 0.41 |
| ▸ | SNCA | P37840 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.35 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7863961 | 0.75 | CYP2A6 (0.47) | MAOAMAOBNPC1RAB9ACYP19A1 | |
| SCHEMBL15054241 | 0.71 | CYP11B1 (0.43) | SLC6A4CYP11B1CYP11B2OPRM1OPRL1 | |
| SCHEMBL7868541 | 0.70 | NPSR1 (0.36) | MEN1KMT2ANPC1RAB9AL3MBTL1 | |
| SCHEMBL7785594 | 0.69 | L3MBTL1 (0.46) | MAOBMEN1KMT2AL3MBTL1 | |
| SCHEMBL19019820 | 0.66 | ALDH1A1 (0.53) | DRD2DRD4MEN1KMT2A | |
| Estragole SCHEMBL29106756 | 0.65 | ALDH1A1 (0.69) | MEN1KMT2AL3MBTL1 | |
| SCHEMBL13241213 | 0.64 | MAOA (0.50) | SLC6A4SNCAMAOAMAOBMEN1 | |
| SCHEMBL7868577 | 0.62 | GLA (0.43) | SLC6A4DRD2DRD3CYP11B1CYP11B2 | |
| SCHEMBL5436760 | 0.62 | MAOA (0.54) | SNCAMAOAMAOBCYP19A1KDR | |
| SCHEMBL5991163 | 0.62 | MAOA (0.54) | SNCAMAOAMAOBCYP19A1KDR |
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 |
|---|---|---|---|---|---|---|---|
| EP-1137647-A1 | THIOUREA INHIBITORS OF HERPES VIRUSES | AMERICAN HOME PRODUCTS CORPORATION (US) | 2001-10-04 | — | — | EP | disclosed |
| WO-2000034268-A1 | THIOUREA INHIBITORS OF HERPES VIRUSES | AMERICAN HOME PRODUCTS CORPORATION (US) | 2000-06-15 | — | — | WO | disclosed |