Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 1/20 | 0.41 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.34 |
| ▸ | WNT3A | P56704 | 1/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.34 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.34 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.34 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | TBXA2R | P21731 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6236586 | 0.73 | TDP1 (0.54) | P2RX7POLBKMT2ANPSR1TSHR | |
| SCHEMBL7103527 | 0.72 | P2RX7 (0.43) | P2RX7GRM4CTNNB1WNT3AGAA | |
| SCHEMBL917137 | 0.71 | CYP1A2 (0.53) | P2RX7CTNNB1WNT3AKMT2AMAPT | |
| SCHEMBL29508230 | 0.71 | CYP1A2 (0.53) | P2RX7CTNNB1WNT3AKMT2AMAPT | |
| SCHEMBL31722590 | 0.71 | P2RX7 (0.51) | P2RX7GRM4CTNNB1WNT3AKMT2A | |
| SCHEMBL27846622 | 0.71 | P2RX7 (0.51) | P2RX7GRM4POLBCTNNB1WNT3A | |
| SCHEMBL27798556 | 0.71 | P2RX7 (0.56) | P2RX7GRM4CTNNB1WNT3ASIRT2 | |
| SCHEMBL27902698 | 0.71 | SNCA (0.52) | P2RX7GRM4CTNNB1WNT3AKMT2A | |
| SCHEMBL7017659 | 0.70 | P2RX7 (0.41) | P2RX7GRM4POLBCTNNB1WNT3A | |
| Hydrochloric Acid SCHEMBL27922723 | 0.70 | CYP1A2 (0.51) | P2RX7CTNNB1WNT3AKMT2AMAPT |
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 |
|---|---|---|---|---|---|---|---|
| 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 |