Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | CD38 | P28907 | 1/20 | 0.35 |
| ▸ | AR | P10275 | 1/20 | 0.35 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.34 |
| ▸ | TRPC5 | Q9UL62 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | RBP4 | P02753 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | FDPS | P14324 | 1/20 | 0.33 |
| ▸ | ATP4A | P20648 | 1/20 | 0.32 |
| ▸ | ATP4B | P51164 | 1/20 | 0.32 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL4234888 | 0.79 | L3MBTL1 (0.46) | HTTHSD17B10L3MBTL1CD38GRM2 | |
| SCHEMBL1025834 | 0.78 | HTT (0.46) | HTTHSD17B10L3MBTL1KDM4EPOLB | |
| SCHEMBL29392684 | 0.77 | DPP4 (0.42) | HTTHSD17B10CD38GRM2TRPC5 | |
| SCHEMBL2348709 | 0.77 | DPP4 (0.42) | HTTHSD17B10CD38GRM2TRPC5 | |
| Hydrochloric Acid SCHEMBL17292826 | 0.75 | DPP4 (0.41) | HTTHSD17B10CD38GRM2TRPC5 | |
| SCHEMBL28051170 | 0.74 | CD38 (0.36) | HTTHSD17B10KDM4ECD38GRM2 | |
| SCHEMBL4006441 | 0.74 | EPHX2 (0.43) | HTTHSD17B10L3MBTL1CD38GRM2 | |
| Hydrochloric Acid SCHEMBL1759361 | 0.73 | CYP3A4 (0.47) | HSD17B10L3MBTL1ARPOLBALDH1A1 | |
| SCHEMBL12818788 | 0.73 | CD38 (0.41) | HTTHSD17B10KDM4ECD38GRM2 | |
| SCHEMBL843961 | 0.73 | CD38 (0.36) | HTTHSD17B10L3MBTL1KDM4ECD38 |
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-1765791-A1 | PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA | BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) | 2007-03-28 | — | — | EP | disclosed |
| WO-2006014482-A1 | PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2006-02-09 | — | — | WO | disclosed |