Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | MRGPRX4 | Q96LA9 | 2/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | HTR1B | P28222 | 2/20 | 0.35 |
| ▸ | KMO | O15229 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.35 |
| ▸ | PPARD | Q03181 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7023320 | 0.76 | NPSR1 (0.42) | NPSR1MRGPRX4RXFP1PKMP2RX7 | |
| SCHEMBL6236586 | 0.74 | TDP1 (0.54) | NPSR1PKMP2RX7KMT2APOLB | |
| SCHEMBL21019573 | 0.74 | CYP3A4 (0.51) | MRGPRX4KDM4EPOLBHTR1BCHRM2 | |
| SCHEMBL6464062 | 0.69 | P2RX7 (0.42) | NPSR1RXFP1PKMP2RX7KDM4E | |
| SCHEMBL7023431 | 0.68 | P2RX7 (0.43) | NPSR1RXFP1PKMP2RX7KDM4E | |
| SCHEMBL917137 | 0.67 | CYP1A2 (0.53) | P2RX7KDM4EKMT2AMAPTALDH1A1 | |
| SCHEMBL31722590 | 0.67 | P2RX7 (0.51) | NPSR1P2RX7KDM4EKMT2AALDH1A1 | |
| SCHEMBL27846622 | 0.67 | P2RX7 (0.51) | NPSR1P2RX7KDM4EKMT2APOLB | |
| SCHEMBL29508230 | 0.67 | CYP1A2 (0.53) | P2RX7KDM4EKMT2AMAPTALDH1A1 | |
| SCHEMBL27798556 | 0.67 | P2RX7 (0.56) | NPSR1P2RX7ALDH1A1 |
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-1370562-A1 | THIENO[2,3-D]PYRIMIDINDIONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS | Warner-Lambert Company LLC (US) | 2003-12-17 | — | — | EP | claimed |
| WO-2002064598-A1 | THIENO'2,3-D PYRIMIDINDIONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS | WARNER-LAMBERT COMPANY LLC (US) | 2002-08-22 | — | — | WO | claimed |
| 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-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 |