Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.46 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 8/20 | 0.44 |
| ▸ | TSHR | P16473 | 5/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | CTSL | P07711 | 1/20 | 0.42 |
| ▸ | CTSB | P07858 | 1/20 | 0.42 |
| ▸ | CTSS | P25774 | 1/20 | 0.42 |
| ▸ | CTSK | P43235 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL23038201 | 0.78 | ATM (0.50) | POLBCTSLCTSSCTSK | |
| SCHEMBL22244421 | 0.75 | ALDH1A1 (0.57) | ALDH1A1CYP1A2EPHX1MEN1KMT2A | |
| SCHEMBL2326093 | 0.74 | ALDH1A1 (0.56) | ALDH1A1CYP1A2EPHX1MEN1KMT2A | |
| SCHEMBL22285596 | 0.74 | ALDH1A1 (0.56) | ALDH1A1CYP1A2EPHX1MEN1KMT2A | |
| SCHEMBL433978 | 0.74 | ALDH1A1 (0.56) | ALDH1A1CYP1A2EPHX1MEN1KMT2A | |
| SCHEMBL25447123 | 0.74 | ALDH1A1 (0.56) | ALDH1A1CYP1A2EPHX1MEN1KMT2A | |
| SCHEMBL22285592 | 0.74 | ALDH1A1 (0.56) | ALDH1A1CYP1A2EPHX1MEN1KMT2A | |
| SCHEMBL9398324 | 0.74 | ALDH1A1 (0.56) | ALDH1A1CYP1A2EPHX1MEN1KMT2A | |
| SCHEMBL433979 | 0.74 | ALDH1A1 (0.56) | ALDH1A1CYP1A2EPHX1MEN1KMT2A | |
| SCHEMBL5461377 | 0.74 | ALDH1A1 (0.56) | ALDH1A1CYP1A2CYP3A4TSHRCYP2C9 |
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 |