Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | ACHE | P22303 | 1/20 | 0.45 |
| ▸ | LTA4H | P09960 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10014792 | 0.95 | LTA4H (0.43) | CYP3A4TSHRLTA4HMEN1KMT2A | |
| SCHEMBL778990 | 0.82 | CYP3A4 (0.53) | CYP3A4TSHRMAPTMEN1KMT2A | |
| SCHEMBL16062705 | 0.81 | CYP3A4 (0.52) | CYP3A4TSHRMAPTMEN1KMT2A | |
| SCHEMBL12893427 | 0.81 | TSHR (0.52) | CYP3A4TSHRACHEMAPTMEN1 | |
| SCHEMBL34838 | 0.80 | CYP3A4 (0.79) | CYP3A4TSHRACHEMAPTMEN1 | |
| SCHEMBL5489177 | 0.78 | CYP3A4 (0.57) | CYP3A4TSHRACHEMAPTMEN1 | |
| SCHEMBL777123 | 0.77 | CYP3A4 (0.61) | CYP3A4TSHRACHEMAPTMEN1 | |
| P-Cresol SCHEMBL8578557 | 0.77 | TSHR (0.55) | CYP3A4TSHRACHEMAPTMEN1 | |
| SCHEMBL5488994 | 0.77 | CYP3A4 (0.55) | CYP3A4TSHRMAPTMEN1KMT2A | |
| SCHEMBL28670766 | 0.77 | CYP3A4 (0.55) | CYP3A4TSHRACHEMAPTMEN1 |
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 |