Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.42 |
| ▸ | MEN1 | O00255 | 5/20 | 0.42 |
| ▸ | USP2 | O75604 | 3/20 | 0.42 |
| ▸ | RGS12 | O14924 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.39 |
| ▸ | FBP1 | P09467 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | CASP7 | P55210 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4419731 | 0.88 | TSHR (0.44) | KDM4EALDH1A1MAPTGAAKMT2A | |
| SCHEMBL4413118 | 0.80 | KDM1A (0.41) | KDM4EALDH1A1MAPTNPSR1KMT2A | |
| SCHEMBL4412642 | 0.75 | MEN1 (0.41) | KDM4EALDH1A1MAPTGAAKMT2A | |
| SCHEMBL4411385 | 0.74 | PCK1 (0.58) | — | |
| SCHEMBL1332551 | 0.71 | ADORA2B (0.44) | KDM4EALDH1A1MAPTHPGDNPSR1 | |
| SCHEMBL1333534 | 0.69 | ADORA1 (0.55) | KDM4EALDH1A1MAPTHPGDNPSR1 | |
| SCHEMBL14011143 | 0.68 | PCK1 (0.55) | — | |
| SCHEMBL6265951 | 0.67 | TPH1 (0.60) | KDM4EALDH1A1HPGDKMT2AMEN1 | |
| SCHEMBL5035066 | 0.66 | ADORA2B (0.53) | KMT2AMEN1 | |
| SCHEMBL31085104 | 0.63 | ALDH1A1 (0.46) | KDM4EALDH1A1MAPTHPGDNPSR1 |
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-1601649-A4 | A1 ADENOSINE RECEPTOR ANTAGONISTS | ENDACEA INC (US) | 2009-03-04 | — | — | EP | claimed |
| EP-1601649-A2 | A1 ADENOSINE RECEPTOR ANTAGONISTS | Endacea Inc. (US) | 2005-12-07 | — | — | EP | claimed |
| WO-2004074247-A2 | A1 ADENOSINE RECEPTOR ANTAGONISTS | ENDACEA, INC. (US) | 2004-09-02 | — | — | WO | claimed |
| EP-1601649-A4 | A1 ADENOSINE RECEPTOR ANTAGONISTS | ENDACEA INC (US) | 2009-03-04 | — | — | EP | disclosed |
| EP-1601649-A2 | A1 ADENOSINE RECEPTOR ANTAGONISTS | Endacea Inc. (US) | 2005-12-07 | — | — | EP | disclosed |
| WO-2004074247-A2 | A1 ADENOSINE RECEPTOR ANTAGONISTS | ENDACEA, INC. (US) | 2004-09-02 | — | — | WO | disclosed |