Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CD38 | P28907 | 3/20 | 0.57 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.54 |
| ▸ | GRM5 | P41594 | 1/20 | 0.52 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.52 |
| ▸ | ACKR3 | P25106 | 3/20 | 0.52 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | CNR1 | P21554 | 1/20 | 0.50 |
| ▸ | TNKS | O95271 | 1/20 | 0.49 |
| ▸ | KDR | P35968 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL30363652 | 0.86 | P2RX7 (0.53) | CD38P2RX7GRM5ACKR3TNKS | |
| SCHEMBL30336165 | 0.85 | SMYD3 (0.55) | CD38P2RX7TNKS | |
| SCHEMBL29998657 | 0.85 | P2RX7 (0.51) | CD38P2RX7GRM5TNKS | |
| SCHEMBL25417634 | 0.85 | SMYD3 (0.55) | CD38P2RX7TNKS | |
| SCHEMBL5308759 | 0.85 | P2RX7 (0.51) | CD38P2RX7GRM5ACKR3EPHX1 | |
| Hydrochloric Acid SCHEMBL29998785 | 0.84 | P2RX7 (0.50) | CD38P2RX7GRM5TNKS | |
| SCHEMBL19132865 | 0.82 | CD38 (0.61) | CD38P2RX7GRM5ACKR3CNR1 | |
| SCHEMBL30380352 | 0.82 | TNKS (0.51) | CD38P2RX7ACKR3TNKS | |
| SCHEMBL19445899 | 0.80 | NPC1 (0.56) | S1PR1ACKR3L3MBTL1ALDH1A1 | |
| SCHEMBL22449377 | 0.79 | GRM5 (0.80) | GRM5KDRALDH1A1KDM4EGAA |
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-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 |