Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCHR1 | Q99705 | 1/20 | 0.45 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.43 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.42 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.40 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.40 |
| ▸ | TERT | O14746 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.38 |
| ▸ | BRAF | P15056 | 1/20 | 0.38 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.37 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL10054980 | 0.87 | SIGMAR1 (0.50) | OPRM1OPRK1SIGMAR1HDAC1TERT | |
| SCHEMBL13102974 | 0.79 | CHRM2 (0.60) | OPRM1OPRK1SIGMAR1HDAC1TERT | |
| SCHEMBL10535689 | 0.78 | CHRM2 (0.58) | SIGMAR1ALDH1A1CHRM2TMEM97CA12 | |
| SCHEMBL30119829 | 0.78 | KEAP1 (0.49) | OPRM1OPRK1SIGMAR1HDAC1TERT | |
| SCHEMBL16268751 | 0.78 | CHRM2 (0.58) | EPHX2ALDH1A1CHRM2CA12CA1 | |
| SCHEMBL18434706 | 0.78 | CYP2C9 (0.63) | OPRM1OPRK1SIGMAR1HDAC1TERT | |
| SCHEMBL3879539 | 0.78 | CHEK1 (0.48) | OPRM1OPRK1SIGMAR1HDAC1ALDH1A1 | |
| SCHEMBL3037243 | 0.78 | TAAR1 (0.57) | OPRM1OPRK1SIGMAR1HDAC1TERT | |
| SCHEMBL18434292 | 0.78 | CARM1 (0.48) | OPRM1OPRK1SIGMAR1HDAC1TERT | |
| SCHEMBL133622 | 0.77 | MEN1 (0.64) | SIGMAR1HDAC1CHRM2TMEM97MAPT |
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-1551841-A1 | PYRAZOLOPYRIMIDINES AS KINASE INHIBITORS | SmithKline Beecham Corporation (US) | 2005-07-13 | — | — | EP | disclosed |
| WO-2004009602-A1 | PYRAZOLOPYRIMIDINES AS KINASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2004-01-29 | — | — | WO | disclosed |