Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 3/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | PDE7A | Q13946 | 6/20 | 0.49 |
| ▸ | PDE7B | Q9NP56 | 2/20 | 0.49 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | ACLY | P53396 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | KIF18A | Q8NI77 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL3070950 | 0.88 | TSHR (0.55) | MAPK1TSHRPDE7APDE7BVCAM1 | |
| SCHEMBL535352 | 0.87 | MAPK1 (0.53) | MAPK1TSHRPDE7APDE7BVCAM1 | |
| Hydrochloric Acid SCHEMBL3554884 | 0.86 | MAPK1 (0.52) | MAPK1TSHRPDE7APDE7BVCAM1 | |
| SCHEMBL535249 | 0.84 | MAPK1 (0.53) | MAPK1TSHRPDE7APDE7BVCAM1 | |
| SCHEMBL29836060 | 0.82 | MAPK1 (0.52) | MAPK1TSHRPDE7APDE7BVCAM1 | |
| SCHEMBL5740032 | 0.82 | MAPK1 (0.52) | MAPK1TSHRPDE7APDE7BVCAM1 | |
| SCHEMBL535457 | 0.82 | MAPK1 (0.52) | MAPK1TSHRPDE7APDE7BVCAM1 | |
| SCHEMBL357928 | 0.81 | PDK1 (0.55) | MAPK1TSHRPDE7APDE7BVCAM1 | |
| SCHEMBL67686 | 0.81 | ALDH1A1 (0.58) | MAPK1TSHRPDE7APDE7BVCAM1 | |
| SCHEMBL11669434 | 0.81 | VCAM1 (0.51) | MAPK1TSHRPDE7APDE7BVCAM1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1617807-A4 | SUBSTITUTED 1,4-DIAZEPINES AND USES THEREOF | ORTHO MCNEIL PHARM INC (US) | 2007-02-21 | — | — | EP | disclosed |
| EP-1617807-A2 | SUBSTITUTED 1,4-DIAZEPINES AND USES THEREOF | Ortho-McNeil Pharmaceuticals, Inc. (US) | 2006-01-25 | — | — | EP | disclosed |
| WO-2004096134-A2 | SUBSTITUTED 1,4-DIAZEPINES AND USES THEREOF | ORTHO-MCNEIL PHARMACEUTICALS, INC. (US) | 2004-11-11 | — | — | WO | disclosed |