Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | GAA | P10253 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 4/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
| ▸ | BRAF | P15056 | 2/20 | 0.36 |
| ▸ | TNF | P01375 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4412642 | 0.88 | MEN1 (0.41) | ALDH1A1GAAKDM4EMAPTMEN1 | |
| SCHEMBL4411387 | 0.88 | KDM4E (0.44) | ALDH1A1GAAKDM4EMAPTHPGD | |
| SCHEMBL1333573 | 0.76 | CYP3A4 (0.52) | ALDH1A1GAAKDM4EMAPTHPGD | |
| SCHEMBL4419731 | 0.75 | TSHR (0.44) | ALDH1A1GAAKDM4EMAPTMEN1 | |
| SCHEMBL1333520 | 0.73 | SMN1; SMN2 (0.43) | ALDH1A1GAAKDM4EMAPTHPGD | |
| SCHEMBL1333235 | 0.72 | ADORA2B (0.41) | ALDH1A1GAAKDM4EMAPTHPGD | |
| SCHEMBL1332642 | 0.71 | ADORA1 (0.43) | ALDH1A1GAAKDM4EMAPTHPGD | |
| SCHEMBL1332639 | 0.70 | SMN1; SMN2 (0.41) | ALDH1A1GAAKDM4EMAPTHPGD | |
| SCHEMBL4416313 | 0.67 | CYP19A1 (0.37) | MAPTNPSR1SMN1; SMN2KMT2ASIGMAR1 | |
| SCHEMBL6266154 | 0.64 | MEN1 (0.56) | ALDH1A1KDM4EMAPTHPGDSMN1; SMN2 |
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-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 |