Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD1 | P21728 | 3/20 | 0.48 |
| ▸ | DRD2 | P14416 | 2/20 | 0.48 |
| ▸ | DRD3 | P35462 | 2/20 | 0.48 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.47 |
| ▸ | HRH1 | P35367 | 8/20 | 0.46 |
| ▸ | DRD4 | P21917 | 2/20 | 0.46 |
| ▸ | DRD5 | P21918 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 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 | |
|---|---|---|---|---|
| SCHEMBL8717379 | 0.90 | ALDH1A1 (0.37) | DRD1DRD2DRD3MAOAMAOB | |
| SCHEMBL4350509 | 0.83 | MAOA (0.52) | DRD1DRD2DRD3MAOAMAOB | |
| SCHEMBL11253519 | 0.82 | L3MBTL1 (0.46) | TP53CYP1A2CYP3A4CYP2C9TSHR | |
| SCHEMBL11518243 | 0.80 | PPARG (0.49) | DRD1DRD2DRD3MAOAMAOB | |
| SCHEMBL20361845 | 0.79 | HTR1A (0.47) | HTR1A | |
| SCHEMBL8507016 | 0.78 | TAAR1 (0.45) | HRH1TP53CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL8672814 | 0.78 | MAOA (0.48) | DRD1DRD2DRD3MAOAMAOB | |
| SCHEMBL516178 | 0.77 | CYP1A2 (0.49) | DRD3HRH1TP53CYP1A2CYP3A4 | |
| SCHEMBL9162703 | 0.76 | MAOA (0.52) | DRD1DRD2DRD3MAOAMAOB | |
| SCHEMBL10449494 | 0.75 | ALDH1A1 (0.52) | CYP1A2TSHRL3MBTL1LMNAHTR1A |
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-112166106-B | Cancer metastasis inhibitors by inhibiting cancer cell migration and invasion | VS药物技术公司 | 2024-05-24 | — | — | CN | disclosed |
| CN-112166106-A | Cancer metastasis inhibitors by inhibiting cancer cell migration and invasion | 韩国生命工学硏究院 | 2021-01-01 | — | — | CN | disclosed |