Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 2/20 | 0.97 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.56 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.56 |
| ▸ | CASP1 | P29466 | 1/20 | 0.56 |
| ▸ | CASP7 | P55210 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | CTSL | P07711 | 1/20 | 0.50 |
| ▸ | PTPRC | P08575 | 1/20 | 0.50 |
| ▸ | CTSS | P25774 | 1/20 | 0.50 |
| ▸ | PTPN13 | Q12923 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL1969983 | 0.98 | MAOA (1.00) | MAOACYP3A4PABPC1DNMT1CASP1 | |
| SCHEMBL28075835 | 0.97 | MAOA (0.97) | MAOACYP3A4PABPC1DNMT1CASP1 | |
| SCHEMBL29869412 | 0.84 | MAOA (0.75) | MAOACYP3A4PABPC1DNMT1CASP1 | |
| SCHEMBL25380689 | 0.84 | MAOA (0.75) | MAOACYP3A4PABPC1DNMT1CASP1 | |
| Sampangine SCHEMBL6230423 | 0.84 | MAOA (0.74) | MAOAALDH1A1CTSLPTPRCCTSS | |
| SCHEMBL1054548 | 0.83 | MAOA (0.73) | MAOACYP3A4PABPC1DNMT1CASP1 | |
| SCHEMBL29644349 | 0.83 | MAOA (0.73) | MAOACYP3A4PABPC1DNMT1CASP1 | |
| SCHEMBL23972209 | 0.83 | MAOA (0.73) | MAOACYP3A4PABPC1DNMT1CASP1 | |
| Fluoranthene SCHEMBL11227281 | 0.82 | MAOA (0.71) | MAOACYP3A4PABPC1DNMT1CASP1 | |
| SCHEMBL18573118 | 0.82 | MAOA (0.70) | MAOACYP3A4ALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116162112-A | N-heterocyclic carbene type cyclometalated platinum complex of oxidized iso-aporphine alkaloid and synthetic method and application thereof | 广西师范大学 | 2023-05-26 | — | — | CN | disclosed |