Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 3/20 | 0.56 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.49 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.49 |
| ▸ | JAK2 | O60674 | 1/20 | 0.49 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.48 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.48 |
| ▸ | SRC | P12931 | 1/20 | 0.48 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.48 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.48 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.48 |
| ▸ | P2RX3 | P56373 | 2/20 | 0.47 |
| ▸ | P2RX2 | Q9UBL9 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL4484811 | 0.86 | DHFR (0.56) | DHFRLRRK2ADORA1HSP90AA1FGFR1 | |
| SCHEMBL28337754 | 0.86 | DHFR (0.52) | DHFRALDH1A1GAA | |
| SCHEMBL8129903 | 0.85 | FGFR1 (0.59) | DHFRLRRK2ALDH1A1GAAMAPT | |
| SCHEMBL12813225 | 0.84 | HSP90AA1 (0.49) | DHFRLRRK2ALDH1A1GAAHSP90AA1 | |
| SCHEMBL27612564 | 0.81 | ADORA1 (0.61) | DHFRADORA1ADORA2AP2RX3P2RX2 | |
| SCHEMBL1388631 | 0.80 | DHFR (0.56) | DHFRALDH1A1MAPTFGFR1P2RX3 | |
| SCHEMBL28815326 | 0.80 | SCN10A (0.49) | DHFRP2RX3P2RX2 | |
| SCHEMBL30488023 | 0.80 | DHFR (0.56) | DHFRALDH1A1MAPTFGFR1P2RX3 | |
| SCHEMBL1614076 | 0.78 | DHFR (0.55) | DHFRGAAMAPTNPSR1ADORA1 | |
| SCHEMBL1613741 | 0.78 | DHFR (0.55) | DHFRADORA1ADORA2AP2RX3P2RX2 |
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-2136635-A1 | CHEMICAL COMPOUNDS | Smithkline Beecham Corporation (US) | 2009-12-30 | — | — | EP | claimed |
| WO-2008115738-A1 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2008-09-25 | — | — | WO | claimed |
| CN-116670127-A | EGFR inhibitors and compositions and uses thereof | 贝达药业股份有限公司 | 2023-08-29 | — | — | CN | disclosed |
| CN-110325516-A | HETEROARYL COMPOUNDS AND THEIR USE | 米尼奥尔克斯治疗有限公司 | 2019-10-11 | — | — | CN | disclosed |
| EP-1427421-A1 | 2,4-DISUBSTITUTED PYRIMIDINYL DERIVATIVES FOR USE AS ANTICANCER AGENTS | Amgen Inc. (US) | 2004-06-16 | — | — | EP | disclosed |
| WO-2003018021-A1 | 2,4-DISUBSTITUTED PYRIMIDINYL DERIVATIVES FOR USE AS ANTICANCER AGENTS | AMGEN INC. (US) | 2003-03-06 | — | — | WO | disclosed |