Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTH1R | Q03431 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | CES1 | P23141 | 2/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | BCHE | P06276 | 1/20 | 0.41 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.40 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.40 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.40 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.40 |
| ▸ | CCKBR | P32239 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | ALDH2 | P05091 | 2/20 | 0.38 |
| ▸ | ALDH3A1 | P30838 | 2/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | UTS2R | Q9UKP6 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9705380 | 0.78 | PTH1R (0.50) | PTH1RTP53CES1CES2BCHE | |
| SCHEMBL8322539 | 0.76 | TP53 (0.42) | TP53CES1CES2BCHEPTGDR2 | |
| SCHEMBL8315954 | 0.72 | CCKBR (0.43) | PTH1RCCKBRNPSR1HTTALDH1A1 | |
| SCHEMBL8317832 | 0.71 | BRD4 (0.55) | CCKBR | |
| SCHEMBL8318719 | 0.69 | BRD4 (0.49) | CCKBR | |
| SCHEMBL9703671 | 0.68 | PTH1R (0.49) | PTH1RCCKBRNPSR1GAAHTT | |
| SCHEMBL8315258 | 0.68 | BRD4 (0.46) | — | |
| SCHEMBL9703395 | 0.68 | PGR (0.53) | PTH1RTP53CES1BCHECCKBR | |
| SCHEMBL8318456 | 0.68 | BRD4 (0.55) | CCKBR | |
| SCHEMBL8316213 | 0.67 | BRD4 (0.55) | CCKBR |
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-0934940-A1 | CYTOKINE PRODUCTION INHIBITORS, TRIAZEPINE COMPOUNDS, AND INTERMEDIATES THEREOF | Japan Tobacco Inc. (JP) | 1999-08-11 | — | — | EP | disclosed |
| EP-0792880-A1 | OSTEOPOROSIS REMEDY AND TRIAZEPINE COMPOUND | Japan Tobacco Inc. (JP) | 1997-09-03 | — | — | EP | disclosed |