Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.30 |
| ▸ | PDE4A | P27815 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | SLC6A6 | P31641 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | BLM | P54132 | 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 | |
|---|---|---|---|---|
| SCHEMBL11793282 | 0.73 | — | — | |
| SCHEMBL5850451 | 0.71 | PTGS1 (0.32) | PTGS1PDE4ALMNASLC6A6CYP2C19 | |
| SCHEMBL11793273 | 0.71 | — | — | |
| SCHEMBL14060994 | 0.71 | PTGS1 (0.39) | PTGS1PDE4ALMNASLC6A6CYP2C19 | |
| SCHEMBL15656303 | 0.71 | TSHR (0.32) | CYP1A2CYP3A4TSHRMAPTTDP1 | |
| SCHEMBL2291577 | 0.69 | CA5A (0.36) | CYP1A2CYP3A4TSHRMAPTTDP1 | |
| SCHEMBL5379996 | 0.69 | — | — | |
| SCHEMBL15203836 | 0.69 | — | — | |
| SCHEMBL21166660 | 0.69 | — | — | |
| SCHEMBL2546191 | 0.69 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2461415-B1 | Nonaqueous electrolytic solutions and nonaqueous-electrolyte batteries | MITSUBISHI CHEM CORP (JP) | 2015-08-26 | — | — | EP | claimed |
| WO-2010141883-A1 | COMPOUNDS THAT MODULATE AUTOIMMUNITY AND METHODS OF USING THE SAME | THE REGENTS OF THE UNIVERSITY OF COLORADO (US) | 2010-12-09 | — | — | WO | claimed |
| WO-2010141883-A1 | COMPOUNDS THAT MODULATE AUTOIMMUNITY AND METHODS OF USING THE SAME | THE REGENTS OF THE UNIVERSITY OF COLORADO (US) | 2010-12-09 | — | — | WO | disclosed |