Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD1 | P21728 | 2/20 | 0.42 |
| ▸ | DRD2 | P14416 | 2/20 | 0.39 |
| ▸ | DRD4 | P21917 | 2/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | HTR1D | P28221 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | GID4 | Q8IVV7 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | DRD5 | P21918 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL30296945 | 0.95 | DRD1 (0.45) | DRD1DRD2DRD4HTR1AHTR1D | |
| SCHEMBL29170205 | 0.95 | DRD1 (0.45) | DRD1DRD2DRD4HTR1AHTR1D | |
| SCHEMBL30296985 | 0.92 | DRD1 (0.44) | DRD1DRD2DRD4HTR1AHTR1D | |
| SCHEMBL30296909 | 0.90 | DRD1 (0.41) | DRD1DRD2DRD4HTR1AHTR1D | |
| SCHEMBL29170196 | 0.90 | DRD1 (0.41) | DRD1DRD2DRD4HTR1AHTR1D | |
| SCHEMBL30297007 | 0.90 | DRD1 (0.41) | DRD1DRD2DRD4HTR1AHTR1D | |
| SCHEMBL30296997 | 0.86 | DRD1 (0.50) | DRD1DRD2DRD4GID4KDM4E | |
| SCHEMBL29170190 | 0.86 | DRD1 (0.50) | DRD1DRD2DRD4GID4KDM4E | |
| SCHEMBL30297017 | 0.83 | DRD1 (0.44) | DRD1MEN1ALDH1A1MAPTKMT2A | |
| SCHEMBL30168543 | 0.79 | ESR1 (0.39) | SIGMAR1 |
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-115894364-A | Preparation method of alkynyl tetrahydroisoquinoline derivatives | 江苏中利集团股份有限公司 | 2023-04-04 | — | — | CN | disclosed |