Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.44 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.44 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.44 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | RAD52 | P43351 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 2/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6472546 | 0.85 | SCN1A (0.51) | ALDH1A1CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL6476984 | 0.83 | HTR3E (0.41) | CYP3A4CYP1A2CYP2D6KDM4EALDH1A1 | |
| SCHEMBL6727925 | 0.82 | BCHE (0.46) | BCHECYP3A4CYP1A2CYP2D6KDM4E | |
| SCHEMBL7101979 | 0.81 | HTR3E (0.40) | CYP3A4CYP1A2KDM4EALDH1A1 | |
| SCHEMBL6259138 | 0.80 | SRC (0.48) | CYP3A4CYP1A2CYP2D6KDM4EALDH1A1 | |
| SCHEMBL6257579 | 0.78 | DRD2 (0.41) | CYP3A4KDM4ECHRNB2CHRNB4CHRNA3 | |
| SCHEMBL7017390 | 0.78 | DRD2 (0.42) | CYP3A4KDM4ECHRNB2CHRNB4CHRNA3 | |
| SCHEMBL7106875 | 0.77 | KMT2A (0.39) | CYP3A4CYP1A2KDM4EALDH1A1 | |
| SCHEMBL7101392 | 0.77 | CHRM2 (0.41) | CYP3A4KDM4ECHRNB2CHRNB4CHRNA3 | |
| SCHEMBL6471284 | 0.76 | MEN1 (0.46) | CYP3A4KDM4EALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1530475-A2 | PHARMACEUTICAL COMPOSITIONS COMPRISING AN ALLOSTERIC CARBOXYLIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 AND A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 | Warner-Lambert Company LLC (US) | 2005-05-18 | — | — | EP | disclosed |
| WO-2004006931-A2 | PHARMACEUTICAL COMPOSTIONS COMPRISING AN ALLOSTERIC CARBOXYLIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 AND A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 | WARNER-LAMBERT COMPANY LLC (US) | 2004-01-22 | — | — | WO | disclosed |
| EP-1370562-A1 | THIENO[2,3-D]PYRIMIDINDIONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS | Warner-Lambert Company LLC (US) | 2003-12-17 | — | — | EP | disclosed |
| WO-2002064598-A1 | THIENO'2,3-D PYRIMIDINDIONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS | WARNER-LAMBERT COMPANY LLC (US) | 2002-08-22 | — | — | WO | disclosed |