Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.79 |
| ▸ | TSHR | P16473 | 2/20 | 0.79 |
| ▸ | ACHE | P22303 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 5/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL18223956 | 0.94 | CYP3A4 (0.70) | CYP3A4TSHRACHEALDH1A1MAPK1 | |
| SCHEMBL34999 | 0.93 | CYP3A4 (0.68) | CYP3A4TSHRACHEALDH1A1MAPK1 | |
| Hydroquinone SCHEMBL5087178 | 0.92 | CYP3A4 (0.67) | CYP3A4TSHRACHEALDH1A1MAPK1 | |
| Phenol SCHEMBL27766616 | 0.90 | CYP3A4 (0.70) | CYP3A4TSHRACHEALDH1A1MAPK1 | |
| Methyl Alcohol SCHEMBL27915032 | 0.89 | TSHR (0.91) | CYP3A4TSHRACHEALDH1A1MAPK1 | |
| SCHEMBL848318 | 0.89 | CYP3A4 (0.58) | CYP3A4TSHRALDH1A1MAPK1TDP1 | |
| SCHEMBL21582 | 0.89 | TSHR (1.00) | CYP3A4TSHRACHEALDH1A1MAPK1 | |
| SCHEMBL131412 | 0.89 | TSHR (1.00) | CYP3A4TSHRACHEALDH1A1MAPK1 | |
| SCHEMBL27393883 | 0.89 | TSHR (1.00) | CYP3A4TSHRACHEALDH1A1MAPK1 | |
| SCHEMBL10336991 | 0.89 | TSHR (1.00) | CYP3A4TSHRACHEALDH1A1MAPK1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8802318-B2 | Compound and composition including compound, with fuel cell, fuel cell electrode and fuel cell electrolyte membrane using same | SAMSUNG ELECTRONICS CO., LTD. (KR) | 2014-08-12 | — | — | US | disclosed |
| US-20110281200-A1 | COMPOUND AND COMPOSITION INCLUDING COMPOUND, WITH FUEL CELL, FUEL CELL ELECTRODE AND FUEL CELL ELECTROLYTE MEMBRANE USING SAME | SNU R&DB FOUNDATION (KR) | 2011-11-17 | — | — | US | disclosed |