Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | PCNA | P12004 | 1/20 | 0.40 |
| ▸ | LIG1 | P18858 | 1/20 | 0.40 |
| ▸ | MMP1 | P03956 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.37 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28035206 | 1.00 | CYP3A4 (0.41) | CYP3A4HTR2AHTR2CHTR2BPTGS2 | |
| SCHEMBL10772081 | 0.90 | HTR2A (0.50) | CYP3A4HTR2AHTR2CHTR2BPTGS2 | |
| SCHEMBL10772079 | 0.90 | HTR2A (0.50) | CYP3A4HTR2AHTR2CHTR2BPTGS2 | |
| SCHEMBL1702318 | 0.84 | PCNA (0.46) | CYP3A4PCNALIG1MMP1 | |
| SCHEMBL22563604 | 0.84 | PCNA (0.46) | CYP3A4PCNALIG1MMP1 | |
| SCHEMBL30123655 | 0.84 | PCNA (0.46) | CYP3A4PCNALIG1MMP1 | |
| SCHEMBL13535542 | 0.78 | PTGS2 (0.50) | CYP3A4HTR2AHTR2CHTR2BPTGS2 | |
| SCHEMBL16091528 | 0.77 | CYP3A4 (0.58) | CYP3A4MMP1 | |
| SCHEMBL7298435 | 0.76 | LDHA (0.58) | CYP3A4MMP1CYP19A1 | |
| SCHEMBL10776070 | 0.76 | LDHA (0.58) | CYP3A4MMP1CYP19A1 |
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-104974052-B | Preparation method of tetrahydroisoquinoline compound intermediate | 深圳市海王英特龙生物技术股份有限公司 | 2017-05-03 | — | — | CN | disclosed |
| CN-104974052-A | Tetrahydroisoquinoline compound intermediate, and preparation method and application thereof | SHENZHEN NEPTUNUS INTERLONG BIO TECH CO LTD | 2015-10-14 | — | — | CN | disclosed |