Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARG | P37231 | 2/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.36 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.36 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.36 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.36 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.32 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.32 |
| ▸ | CSNK2A1 | P68400 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7437266 | 0.94 | GABRA1 (0.38) | PPARGGABRA1GABRG2GABRB3GABRA2 | |
| SCHEMBL7441155 | 0.87 | CNR1 (0.38) | PPARGGABRA1GABRG2GABRB3GABRA2 | |
| SCHEMBL7433295 | 0.83 | GABRA1 (0.35) | PPARGGABRA1GABRG2GABRB3GABRA2 | |
| SCHEMBL7433797 | 0.81 | — | — | |
| SCHEMBL7437669 | 0.80 | DPP4 (0.41) | PPARGGABRA1GABRG2GABRB3GABRA2 | |
| SCHEMBL7447121 | 0.79 | TSHR (0.41) | PPARGGABRA1GABRG2GABRB3GABRA2 | |
| SCHEMBL7447205 | 0.79 | CDK2 (0.46) | PPARGALDH1A1HSD17B10CYP1A2CYP3A4 | |
| SCHEMBL7449210 | 0.77 | ABCB1 (0.39) | PPARGGABRA1GABRG2GABRB3GABRA2 | |
| SCHEMBL7427170 | 0.77 | CSNK2A1 (0.35) | GABRA1GABRG2GABRB3GABRA2ALDH1A1 | |
| SCHEMBL7435695 | 0.75 | DPP4 (0.39) | PPARGGABRA1GABRG2GABRB3GABRA2 |
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-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 |
| EP-0628559-A1 | Pyrimidine compounds and their use as pharmaceuticals | Beiersdorf-Lilly GmbH (DE) | 1994-12-14 | — | — | EP | disclosed |