Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | THRB | P10828 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.47 |
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.47 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.47 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 2/20 | 0.46 |
| ▸ | SLC5A1 | P13866 | 1/20 | 0.46 |
| ▸ | SLC5A2 | P31639 | 1/20 | 0.46 |
| ▸ | TYR | P14679 | 1/20 | 0.45 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.44 |
| ▸ | MRGPRX4 | Q96LA9 | 3/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL27650595 | 0.86 | ABCG2 (0.53) | ABCG2ALDH1A1LMNATHRBMEN1 | |
| SCHEMBL4883621 | 0.84 | ABCG2 (0.65) | ABCG2MEN1KMT2APTPN1CYSLTR2 | |
| SCHEMBL5318918 | 0.84 | ABCG2 (0.65) | ABCG2MEN1KMT2APTPN1CYSLTR2 | |
| SCHEMBL4414036 | 0.82 | ABCG2 (0.50) | ABCG2ALDH1A1LMNATHRBMEN1 | |
| SCHEMBL17237769 | 0.81 | MAOB (0.67) | ABCG2ALDH1A1MEN1KMT2APTPN1 | |
| SCHEMBL8066940 | 0.80 | PTPN1 (0.55) | ABCG2ALDH1A1LMNATHRBPTPN1 | |
| SCHEMBL4876543 | 0.79 | MEN1 (0.61) | LMNAMEN1KMT2ANR4A2PTGER1 | |
| SCHEMBL30307916 | 0.79 | MEN1 (0.61) | LMNAMEN1KMT2ANR4A2PTGER1 | |
| SCHEMBL8064391 | 0.77 | PTPN1 (0.56) | ABCG2MEN1KMT2APTPN1MAOB | |
| SCHEMBL18526958 | 0.76 | TNFRSF1A (0.53) | PTPN1MAOB |
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 |