Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRC | P12931 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | THPO | P40225 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.41 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.41 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.40 |
| ▸ | FEN1 | P39748 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL6473485 | 0.92 | ALDH1A1 (0.48) | ALDH1A1KMT2ACYP2D6TSHRADRA1A | |
| SCHEMBL6474542 | 0.87 | ADORA2B (0.44) | HPGDALDH1A1KMT2ATSHRMEN1 | |
| SCHEMBL6473393 | 0.85 | TSHR (0.47) | ALDH1A1KMT2ATSHRMEN1LMNA | |
| SCHEMBL6470623 | 0.85 | ADORA2B (0.42) | KMT2ATSHRMEN1LMNAERCC5 | |
| SCHEMBL6471284 | 0.85 | MEN1 (0.46) | HPGDALDH1A1KMT2ATSHRMEN1 | |
| SCHEMBL6471776 | 0.85 | TSHR (0.45) | ALDH1A1KMT2ATSHRMEN1LMNA | |
| SCHEMBL6472082 | 0.85 | ERCC5 (0.41) | HPGDALDH1A1KMT2ATSHRMEN1 | |
| SCHEMBL6470949 | 0.85 | POLB (0.42) | HPGDALDH1A1KMT2ATSHRMEN1 | |
| SCHEMBL7023571 | 0.84 | ERCC5 (0.41) | HPGDALDH1A1KMT2ATSHRMEN1 | |
| SCHEMBL6472052 | 0.84 | MEN1 (0.44) | ALDH1A1KMT2ATSHRMEN1LMNA |
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 6 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 |
| EP-1530467-A2 | COMBINATION OF AN ALLOSTERIC CARBOXYLIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH CELECOXIB OR VALDECOXIB | 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 |
| WO-2004006912-A2 | COMBINATION OF AN ALLOSTERIC CARBOXYLIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH CELECOXIB OR VALDECOXIB | 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 |