Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 2/20 | 0.64 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.64 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.64 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.64 |
| ▸ | KCNN3 | Q9UGI6 | 1/20 | 0.51 |
| ▸ | EPHX2 | P34913 | 4/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.47 |
| ▸ | CYP2J2 | P51589 | 3/20 | 0.47 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.46 |
| ▸ | HSD17B13 | Q7Z5P4 | 2/20 | 0.46 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | QPCT | Q16769 | 1/20 | 0.42 |
| ▸ | TACR1 | P25103 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL31647436 | 0.82 | HDAC3 (0.61) | HDAC3HDAC1HDAC2HDAC6KCNN3 | |
| SCHEMBL4730182 | 0.79 | HDAC3 (1.00) | HDAC3HDAC1HDAC2HDAC6EPHX2 | |
| SCHEMBL22957856 | 0.78 | HDAC3 (0.49) | HDAC3HDAC1HDAC2HDAC6KCNN3 | |
| SCHEMBL1267097 | 0.77 | CSF1R (0.52) | HDAC3HDAC1HDAC2HDAC6CYP2C9 | |
| SCHEMBL13875905 | 0.77 | HTT (0.51) | HDAC3HDAC1HDAC2HDAC6KCNN3 | |
| SCHEMBL24710168 | 0.76 | MAPT (0.58) | HDAC3HDAC1HDAC2HDAC6KCNN3 | |
| SCHEMBL3130662 | 0.76 | MCL1 (0.53) | HDAC3HDAC1HDAC2HDAC6KCNN3 | |
| SCHEMBL561423 | 0.76 | LMNA (0.56) | HDAC3HDAC1HDAC2HDAC6KCNN3 | |
| SCHEMBL1847807 | 0.76 | HDAC3 (0.55) | HDAC3HDAC1HDAC2HDAC6KCNN3 | |
| SCHEMBL13674953 | 0.76 | HDAC3 (0.55) | HDAC3HDAC1HDAC2HDAC6KCNN3 |
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 |