Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | MPO | P05164 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7448082 | 0.94 | SLC6A2 (0.40) | SLC6A2SLC6A4SLC6A3MPOCYP3A4 | |
| SCHEMBL9531756 | 0.89 | SLC6A2 (0.50) | SLC6A2SLC6A4SLC6A3MPOCYP3A4 | |
| SCHEMBL11528941 | 0.80 | CYP1A2 (0.42) | SLC6A2SLC6A4SLC6A3CYP1A2 | |
| SCHEMBL8477970 | 0.78 | SLC6A2 (0.55) | SLC6A2SLC6A4SLC6A3CYP3A4CYP1A2 | |
| SCHEMBL9413490 | 0.74 | CYP2D6 (0.39) | SLC6A2SLC6A4SLC6A3CYP1A2 | |
| SCHEMBL6470815 | 0.74 | HTR2A (0.34) | SLC6A2SLC6A4SLC6A3HPGDNISCH | |
| SCHEMBL5642404 | 0.74 | HTR2A (0.54) | SLC6A2SLC6A4SLC6A3HPGD | |
| SCHEMBL7819515 | 0.74 | HTR2A (0.39) | SLC6A2SLC6A4 | |
| SCHEMBL27930422 | 0.73 | SLC6A2 (0.59) | SLC6A2SLC6A4SLC6A3CYP3A4CYP1A2 | |
| SCHEMBL7445813 | 0.72 | ADRA2A (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0628559-B1 | Pyrimidine compounds and their use as pharmaceuticals | BEIERSDORF LILLY GMBH (DE) | 2002-04-03 | — | — | EP | disclosed |
| US-5602136-A | Pyrimidine compounds and their use as pharmaceuticals | BEIERSDORF-LILLY GMBH (DE) | 1997-02-11 | — | — | US | disclosed |
| US-5602137-A | Pyrimidine compounds and their use as pharmaceuticals | BEIERSDORF-LILLY GMBH (DE) | 1997-02-11 | — | — | US | disclosed |
| US-5571813-A | Fused pyrimidine compounds and their use as pharmaceuticals | BEIERSDORF-LILLY GMBH (DE) | 1996-11-05 | — | — | US | disclosed |