Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 4/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | NQO1 | P15559 | 1/20 | 0.37 |
| ▸ | PTGES | O14684 | 2/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 4/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | ABCG2 | Q9UNQ0 | 6/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | CASP7 | P55210 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8197756 | 0.77 | NQO1 (0.54) | MAPTALDH1A1NPSR1NQO1PTGES | |
| SCHEMBL6047621 | 0.75 | HSD17B1 (0.37) | KDM4EMEN1KMT2A | |
| SCHEMBL6047636 | 0.73 | HPGD (0.43) | MAPTALDH1A1NPSR1NQO1PTGES | |
| SCHEMBL6047640 | 0.72 | MAPT (0.36) | MAPTALDH1A1NPSR1NQO1PTGES | |
| SCHEMBL28802318 | 0.72 | HPGD (0.54) | MAPTALDH1A1NQO1PTGESALOX5 | |
| SCHEMBL5887354 | 0.69 | SMN1; SMN2 (0.38) | MAPTALDH1A1NPSR1HPGDLMNA | |
| SCHEMBL13241087 | 0.68 | PDGFRB (0.46) | MAPTALDH1A1NQO1PTGESALOX5 | |
| SCHEMBL6047663 | 0.68 | MAPT (0.35) | MAPTALDH1A1NQO1PTGESALOX5 | |
| SCHEMBL19208975 | 0.67 | NQO2 (0.50) | MAPTALDH1A1NPSR1NQO1PTGES | |
| SCHEMBL8986122 | 0.67 | MAPT (0.52) | MAPTALDH1A1NPSR1NQO1PTGES |
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 |
|---|---|---|---|---|---|---|---|
| US-7037931-B2 | Corticotropin releasing factor moderator; analgesics; drug abruse, drug dependency; schizophrenia | JANSSEN PHARMACEUTICA N.V. (BE) | 2006-05-02 | — | — | US | claimed |
| EP-1418916-A1 | 2-AMINO-4-HETEROARYLAMINOPYRIMIDINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER | Amgen Inc. (US) | 2004-05-19 | — | — | EP | disclosed |
| WO-2003018022-A1 | 2-AMINO-4-HETEROARYLAMINOPYRIMIDINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER | AMGEN INC. (US) | 2003-03-06 | — | — | WO | disclosed |