Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSPA5 | P11021 | 1/20 | 0.45 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.39 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL27798099 | 0.93 | HTR1A (0.42) | HSPA5HTR1APOLBMAPK1TSHR | |
| SCHEMBL10902230 | 0.89 | TSHR (0.46) | HSPA5HTR1APOLBMAPK1TSHR | |
| SCHEMBL6015484 | 0.87 | TSHR (0.45) | HSPA5HTR1APOLBMAPK1TSHR | |
| SCHEMBL27813179 | 0.86 | TSHR (0.44) | HSPA5HTR1APOLBMAPK1TSHR | |
| SCHEMBL27980703 | 0.86 | TSHR (0.44) | HSPA5HTR1APOLBMAPK1TSHR | |
| SCHEMBL27813184 | 0.86 | TSHR (0.44) | HSPA5HTR1APOLBMAPK1TSHR | |
| SCHEMBL27813191 | 0.86 | TSHR (0.44) | HSPA5HTR1APOLBMAPK1TSHR | |
| SCHEMBL27833312 | 0.86 | TSHR (0.44) | HSPA5HTR1APOLBMAPK1TSHR | |
| SCHEMBL27833253 | 0.86 | TSHR (0.44) | HSPA5HTR1APOLBMAPK1TSHR | |
| SCHEMBL7637842 | 0.86 | TSHR (0.39) | POLBTSHRGABRA1GABRB2TAAR1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2147909-B1 | 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 CHEMICAL IND (JP) | 2016-12-14 | — | — | EP | disclosed |
| CN-102807582-A | Preparation methods of organic phosphate ester and organic phosphate nucleating agent | CHINA PETROLEUM & CHEMICAL | 2012-12-05 | — | — | CN | disclosed |
| CN-102807474-A | Preparation methods of substituted diaryl phenol, organophosphorus ester and organic phosphate | CHINA PETROLEUM & CHEMICAL | 2012-12-05 | — | — | CN | disclosed |
| EP-1648922-B1 | SPATIALLY-DEFINED MACROCYCLIC COMPOUNDS USEFUL FOR DRUG DISCOVERY | TRANZYME PHARMA INC (CA) | 2010-12-01 | — | — | EP | disclosed |