Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.53 |
| ▸ | MAOB | P27338 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | THRB | P10828 | 2/20 | 0.48 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.48 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.48 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.48 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.48 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.47 |
| ▸ | PKM | P14618 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.46 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.46 |
| ▸ | RELA | Q04206 | 1/20 | 0.46 |
| ▸ | SLC5A1 | P13866 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL27630436 | 0.86 | ABCG2 (0.50) | ABCG2MAOBLMNAALDH1A1THRB | |
| SCHEMBL5318918 | 0.83 | ABCG2 (0.65) | ABCG2MAOBPTPN1PKMKMT2A | |
| SCHEMBL4883621 | 0.83 | ABCG2 (0.65) | ABCG2MAOBPTPN1PKMKMT2A | |
| SCHEMBL7186177 | 0.81 | ABCG2 (0.72) | ABCG2MAOBLMNAALDH1A1RAB9A | |
| SCHEMBL7186174 | 0.81 | ABCG2 (0.72) | ABCG2MAOBLMNAALDH1A1RAB9A | |
| SCHEMBL27746895 | 0.81 | PTGER1 (0.72) | ABCG2MAOBLMNAALDH1A1THRB | |
| SCHEMBL27746894 | 0.81 | PTGER1 (0.72) | ABCG2MAOBLMNAALDH1A1THRB | |
| SCHEMBL17237769 | 0.79 | MAOB (0.67) | ABCG2MAOBALDH1A1PTPN1KMT2A | |
| SCHEMBL2370214 | 0.79 | MAPT (0.57) | MAOBPTGER1PTGER4PTGER3PTGER2 | |
| SCHEMBL4414036 | 0.78 | ABCG2 (0.50) | ABCG2MAOBLMNAALDH1A1THRB |
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 |