Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA4 | P22748 | 1/20 | 0.50 |
| ▸ | LTA4H | P09960 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | HTR1B | P28222 | 2/20 | 0.37 |
| ▸ | HTR1D | P28221 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | DRD4 | P21917 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | KDM1A | O60341 | 2/20 | 0.33 |
| ▸ | MAOA | P21397 | 2/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1790430 | 0.83 | LTA4H (0.50) | CA4LTA4HTSHRHTR1BHTR1D | |
| SCHEMBL2121426 | 0.80 | LTA4H (0.47) | CA4LTA4HTSHRHTR1BHTR1D | |
| SCHEMBL21328562 | 0.80 | LTA4H (0.47) | CA4LTA4HTSHRHTR1BHTR1D | |
| Hydrochloric Acid SCHEMBL29091986 | 0.80 | LTA4H (0.47) | CA4LTA4HTSHRHTR1BHTR1D | |
| SCHEMBL9694496 | 0.73 | LTA4H (0.43) | CA4LTA4HTSHRHTR1BHTR1D | |
| SCHEMBL29092781 | 0.73 | PGR (0.46) | CA4TSHRHPGDSMN1; SMN2HTT | |
| SCHEMBL4547560 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL3429887 | 0.72 | LTA4H (0.42) | CA4LTA4HTSHRHTR1BHTR1D | |
| Hydrochloric Acid SCHEMBL31590724 | 0.70 | CA4 (0.46) | CA4LTA4HTSHRHTR1BHTR1D | |
| SCHEMBL454112 | 0.69 | — | — |
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-2020140894-A1 | FLUORINE-CONTAINING SUBSTITUTED BENZOTHIOPHENE COMPOUND, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF | 中国科学院上海药物研究所 | 2020-07-09 | — | — | WO | disclosed |