Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.48 |
| ▸ | DRD3 | P35462 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA7 | P43166 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.41 |
| ▸ | HMGCR | P04035 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2989542 | 0.84 | KDM4E (0.52) | CYP3A4MEN1PTGS1DRD3KMT2A | |
| SCHEMBL16692650 | 0.82 | ACHE (0.44) | CYP3A4MEN1PTGS1DRD3KMT2A | |
| SCHEMBL11382828 | 0.80 | MAPT (0.50) | CYP3A4MEN1PTGS1DRD3KMT2A | |
| SCHEMBL9720573 | 0.79 | PPARA (0.46) | CYP3A4MEN1PTGS1DRD3KMT2A | |
| SCHEMBL6812056 | 0.77 | KMT2A (0.51) | CYP3A4MEN1PTGS1DRD3KMT2A | |
| SCHEMBL24451058 | 0.77 | MAPT (0.45) | CYP3A4MEN1PTGS1DRD3KMT2A | |
| SCHEMBL7049792 | 0.77 | ALDH1A1 (0.50) | CYP3A4MEN1PTGS1DRD3KMT2A | |
| SCHEMBL29178448 | 0.77 | HSD17B3 (0.59) | MEN1KMT2AALDH1A1HTTCA2 | |
| SCHEMBL8418226 | 0.76 | MEN1 (0.58) | CYP3A4MEN1PTGS1DRD3KMT2A | |
| SCHEMBL2979251 | 0.76 | MEN1 (0.58) | CYP3A4MEN1PTGS1DRD3KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100418977-C | Fused heterocyclic derivative, pharmaceutical composition containing the same, and pharmaceutical use thereof | KISSEI PHARMACEUTICAL (JP) | 2008-09-17 | — | — | CN | disclosed |
| CN-1784415-A | Fused heterocyclic derivative, medicinal composition containing the same, and medicinal use thereof | KISSEI PHARMACEUTICAL (JP) | 2006-06-07 | — | — | CN | disclosed |