Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B3 | P37058 | 6/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.31 |
| ▸ | DRD4 | P21917 | 1/20 | 0.31 |
| ▸ | DRD3 | P35462 | 2/20 | 0.31 |
| ▸ | HTR6 | P50406 | 2/20 | 0.31 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.31 |
| ▸ | HTR7 | P34969 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | SRD5A1 | P18405 | 2/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8554586 | 0.77 | TSHR (0.40) | TSHRDRD4DRD3CHRM4CHRM2 | |
| SCHEMBL31327521 | 0.72 | MAOA (0.52) | TSHRDRD4DRD3MAPTMEN1 | |
| SCHEMBL1025209 | 0.72 | MAOA (0.52) | TSHRDRD4DRD3MAPTMEN1 | |
| SCHEMBL20847929 | 0.67 | MAOA (0.53) | DRD4DRD3 | |
| SCHEMBL19035881 | 0.67 | MAOA (0.49) | SIGMAR1DRD4DRD3HTR6HTR7 | |
| SCHEMBL21020950 | 0.66 | HTR2C (0.33) | HSD17B3TSHRSIGMAR1DRD3HTR6 | |
| SCHEMBL1530624 | 0.65 | ABHD6 (0.44) | HSD17B3 | |
| SCHEMBL28415182 | 0.63 | NOTUM (0.43) | HSD17B3MAPTMEN1KMT2A | |
| SCHEMBL20854483 | 0.59 | HTR2A (0.42) | HSD17B3HTR7SRD5A1 | |
| SCHEMBL11623429 | 0.59 | ALDH1A1 (0.39) | MAPTSRD5A1MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017045648-A1 | PREPARATION METHOD FOR DEUTERATED COMPOUND | 正大天晴药业集团股份有限公司 | 2017-03-23 | — | — | WO | disclosed |