Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 1/20 | 0.42 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.39 |
| ▸ | CNR1 | P21554 | 2/20 | 0.38 |
| ▸ | CNR2 | P34972 | 2/20 | 0.38 |
| ▸ | AXL | P30530 | 1/20 | 0.38 |
| ▸ | FLT3 | P36888 | 1/20 | 0.38 |
| ▸ | MERTK | Q12866 | 1/20 | 0.38 |
| ▸ | KCNN3 | Q9UGI6 | 4/20 | 0.36 |
| ▸ | KCNN1 | Q92952 | 1/20 | 0.36 |
| ▸ | KCNN2 | Q9H2S1 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.36 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.36 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.36 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 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 | |
|---|---|---|---|---|
| SCHEMBL7441427 | 0.88 | DPP4 (0.43) | DPP4AXLFLT3MERTKCYP1A2 | |
| SCHEMBL7437669 | 0.86 | DPP4 (0.41) | DPP4AXLFLT3MERTKCYP1A2 | |
| SCHEMBL7447420 | 0.83 | AXL (0.42) | DPP4AXLFLT3MERTKCYP1A2 | |
| SCHEMBL7435695 | 0.82 | DPP4 (0.39) | DPP4AXLFLT3MERTKCYP1A2 | |
| SCHEMBL14427333 | 0.76 | PDE10A (0.49) | DPP4PDE10AKCNN3KCNN1KCNN2 | |
| SCHEMBL7445604 | 0.75 | KCNN3 (0.66) | PDE10AKCNN3KCNN1KCNN2CYP1A2 | |
| SCHEMBL7441155 | 0.73 | CNR1 (0.38) | CNR1CNR2CYP1A2ALDH1A1CYP3A4 | |
| SCHEMBL7436474 | 0.72 | AXL (0.41) | PDE10AAXLFLT3MERTKCYP1A2 | |
| SCHEMBL7438169 | 0.72 | AXL (0.47) | AXLFLT3MERTKCYP1A2ALDH1A1 | |
| SCHEMBL7447121 | 0.71 | TSHR (0.41) | CYP1A2ALDH1A1CYP3A4HPGDHSD17B10 |
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 5 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-5602137-A | Pyrimidine compounds and their use as pharmaceuticals | BEIERSDORF-LILLY GMBH (DE) | 1997-02-11 | — | — | US | disclosed |
| US-5602136-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 |
| EP-0628559-A1 | Pyrimidine compounds and their use as pharmaceuticals | Beiersdorf-Lilly GmbH (DE) | 1994-12-14 | — | — | EP | disclosed |