Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 3/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA3 | P07451 | 1/20 | 0.31 |
| ▸ | CA6 | P23280 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | APP | P05067 | 1/20 | 0.31 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.31 |
| ▸ | IDO1 | P14902 | 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 | |
|---|---|---|---|---|
| SCHEMBL3610 | 0.93 | — | — | |
| SCHEMBL20399742 | 0.91 | — | — | |
| SCHEMBL27916112 | 0.84 | TSHR (0.42) | TSHRHDAC8ENPP2ALDH1A1CYP2A6 | |
| Magnesium Chloride Anhydrous SCHEMBL27811650 | 0.84 | TSHR (0.42) | TSHRHDAC8ENPP2ALDH1A1CYP2A6 | |
| SCHEMBL27622104 | 0.84 | TSHR (0.42) | TSHRHDAC8ENPP2ALDH1A1CYP2A6 | |
| Benzonitrile SCHEMBL3632311 | 0.83 | TSHR (0.74) | TSHRHDAC8MAOBMAOAENPP2 | |
| SCHEMBL5496752 | 0.78 | TSHR (0.46) | TSHRMAOBMAOAENPP2ALDH1A1 | |
| SCHEMBL8035563 | 0.78 | TSHR (0.57) | TSHRHDAC8MAOBMAOAENPP2 | |
| SCHEMBL1756357 | 0.76 | — | — | |
| SCHEMBL2188836 | 0.74 | APP (0.57) | TSHRALDH1A1CA12CA2CA9 |
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 |
|---|---|---|---|---|---|---|---|
| US-4656280-A | Radioiodinated dopamine receptor ligand | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1987-04-07 | — | — | US | claimed |