Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | HSPA5 | P11021 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.37 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.37 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL27776966 | 0.87 | TSHR (0.46) | TSHRHSPA5POLBMAPK1HTR1A | |
| SCHEMBL28636115 | 0.85 | HSPA5 (0.45) | TSHRHSPA5POLBMAPK1HTR1A | |
| SCHEMBL23153080 | 0.85 | TSHR (0.50) | TSHRHSPA5POLBMAPK1HTR1A | |
| SCHEMBL3959615 | 0.85 | TSHR (0.50) | TSHRHSPA5POLBMAPK1HTR1A | |
| SCHEMBL1310747 | 0.85 | TSHR (0.41) | TSHRHSPA5POLBMAPK1HTR1A | |
| SCHEMBL1311363 | 0.82 | LMNA (0.44) | TSHRHSPA5POLBMAPK1HTR1A | |
| SCHEMBL27798099 | 0.82 | HTR1A (0.42) | TSHRHSPA5POLBMAPK1HTR1A | |
| SCHEMBL2928397 | 0.80 | PRSS1 (0.41) | TSHRHTR1A | |
| SCHEMBL28619583 | 0.79 | TSHR (0.42) | TSHRHSPA5POLBMAPK1HTR1A | |
| SCHEMBL294000 | 0.79 | TSHR (0.44) | TSHRHSPA5POLBMAPK1HTR1A |
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 |
|---|---|---|---|---|---|---|---|
| EP-2147909-A1 | METHOD FOR PRODUCTION OF ISOCYANATE USING COMPOSITION COMPRISING CARBAMIC ACID ESTER AND AROMATIC HYDROXY COMPOUND, AND COMPOSITION FOR TRANSPORT OR STORAGE OF CARBAMIC ACID ESTER | Asahi Kasei Chemicals Corporation (JP) | 2010-01-27 | — | — | EP | disclosed |