Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | PTH1R | Q03431 | 3/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | CNR2 | P34972 | 1/20 | 0.31 |
| ▸ | PARP1 | P09874 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
| ▸ | HTR2C | P28335 | 1/20 | 0.30 |
| ▸ | HTR2B | P41595 | 1/20 | 0.30 |
| ▸ | IDH1 | O75874 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5320857 | 0.87 | PTH1R (0.36) | CES2PTH1RALDH1A1CNR2 | |
| SCHEMBL5320053 | 0.86 | CHRM1 (0.38) | PTH1RCNR2 | |
| SCHEMBL5323969 | 0.86 | LMNA (0.31) | LMNACNR2 | |
| SCHEMBL5321521 | 0.84 | PTH1R (0.38) | PTH1RALDH1A1LMNAIDH1 | |
| SCHEMBL5327710 | 0.83 | ALDH1A1 (0.33) | CES2PTH1RALDH1A1LMNACNR2 | |
| SCHEMBL5323094 | 0.80 | PDE4B (0.39) | ALDH1A1 | |
| SCHEMBL5349124 | 0.78 | CNR2 (0.31) | CNR2 | |
| SCHEMBL5322987 | 0.77 | PTH1R (0.42) | PTH1R | |
| SCHEMBL5330541 | 0.77 | PTH1R (0.37) | PTH1RALDH1A1CNR2 | |
| SCHEMBL5319651 | 0.76 | PTH1R (0.37) | CES2PTH1RALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2006129120-A9 | BENZOTRIAZEPINONE DERIVATIVES | JAMES BLACK FOUNDATION (GB) | 2007-03-22 | — | — | WO | disclosed |
| WO-2006129120-A2 | BENZOTRIAZEPINONE DERIVATIVES | JAMES BLACK FOUNDATION (GB) | 2006-12-07 | — | — | WO | disclosed |