Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD1 | P21728 | 3/20 | 0.48 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.46 |
| ▸ | DRD2 | P14416 | 3/20 | 0.46 |
| ▸ | DRD4 | P21917 | 3/20 | 0.46 |
| ▸ | HTR1A | P08908 | 1/20 | 0.46 |
| ▸ | HTR1D | P28221 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | GID4 | Q8IVV7 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.41 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28590256 | 0.84 | ESR1 (0.49) | HTR2ASIGMAR1MEN1MAPTKMT2A | |
| SCHEMBL12685743 | 0.81 | DRD1 (0.43) | DRD1SLC6A4DRD2DRD4HTR1A | |
| SCHEMBL16684242 | 0.81 | DRD1 (0.43) | DRD1SLC6A4DRD2DRD4HTR1A | |
| SCHEMBL28451897 | 0.80 | SMPD1 (0.48) | DRD1SLC6A4DRD2DRD4HTR1A | |
| SCHEMBL28587854 | 0.80 | HTR3A (0.41) | SLC6A4SIGMAR1ALDH1A1HPGD | |
| SCHEMBL28921436 | 0.76 | DRD1 (0.46) | DRD1DRD2DRD4HTR1AHTR1D | |
| SCHEMBL29170205 | 0.75 | DRD1 (0.45) | DRD1SLC6A4DRD2DRD4HTR1A | |
| SCHEMBL30296945 | 0.75 | DRD1 (0.45) | DRD1SLC6A4DRD2DRD4HTR1A | |
| SCHEMBL5525385 | 0.74 | ESR1 (0.62) | DRD1DRD2DRD4SIGMAR1DRD5 | |
| SCHEMBL28921440 | 0.74 | DRD1 (0.44) | DRD1DRD2DRD4HTR1AHTR1D |
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-113072493-A | Novel synthesis method of 1-fluoromethyl-tetrahydroisoquinoline derivative | 中山大学 | 2021-07-06 | — | — | CN | disclosed |