Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 2/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL19779659 | 0.80 | TSHR (0.39) | ALDH1A1L3MBTL1KDM4ETSHRMAP2K1 | |
| SCHEMBL20621249 | 0.79 | TSHR (0.43) | ALDH1A1L3MBTL1KDM4EUSP2TSHR | |
| SCHEMBL26596713 | 0.79 | ALDH1A1 (0.35) | ALDH1A1L3MBTL1KDM4EUSP2TSHR | |
| SCHEMBL5801533 | 0.78 | CYP1A2 (0.36) | ALDH1A1KDM4EUSP2TSHRGAA | |
| SCHEMBL7645209 | 0.76 | ALDH1A1 (0.37) | ALDH1A1L3MBTL1KDM4EUSP2TSHR | |
| SCHEMBL19768970 | 0.74 | GABRA1 (0.40) | ALDH1A1L3MBTL1TSHRPOLBMAP2K1 | |
| SCHEMBL84270 | 0.71 | TSHR (0.36) | ALDH1A1L3MBTL1TSHRMAP2K1 | |
| SCHEMBL4542360 | 0.69 | IKBKB (0.34) | KDM4E | |
| SCHEMBL19734472 | 0.69 | MAOB (0.34) | TSHR | |
| SCHEMBL2423501 | 0.69 | TSHR (0.46) | ALDH1A1KDM4EUSP2TSHRGAA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1385524-A4 | PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS | ABBOTT GMBH & CO KG (DE) | 2006-02-01 | — | — | EP | disclosed |
| EP-1385524-A1 | PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS | Abbott GmbH & Co. KG (DE) | 2004-02-04 | — | — | EP | disclosed |
| WO-2002080926-A1 | PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS | ABBOTT GMBH & CO. KG (DE) | 2002-10-17 | — | — | WO | disclosed |