Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.33 |
| ▸ | MAPT | P10636 | 4/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | CCR2 | P41597 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.32 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL980483 | 0.90 | MAPT (0.39) | ALDH1A1CYP2A6KDM4EMAPTMAPK1 | |
| SCHEMBL981167 | 0.89 | CCR2 (0.38) | CYP1A2TSHRNPSR1CYP3A4CYP2C9 | |
| SCHEMBL576548 | 0.66 | SLC6A3 (0.38) | KDM4EMAPTMAPK1KMT2AMEN1 | |
| SCHEMBL577590 | 0.64 | CCR2 (0.41) | CYP1A2TSHRKDM4ENPSR1CYP3A4 | |
| SCHEMBL576569 | 0.64 | SLC6A3 (0.39) | KDM4EMAPTMAPK1KMT2AMEN1 | |
| SCHEMBL576003 | 0.63 | SLC6A3 (0.36) | CYP1A2KDM4EMAPTMAPK1KMT2A | |
| SCHEMBL9496870 | 0.62 | CYP2A6 (0.85) | ALDH1A1CYP2A6CYP1A2TSHRMAPK1 | |
| SCHEMBL576492 | 0.62 | CREBBP (0.38) | CYP1A2TSHRKDM4ENPSR1CYP3A4 | |
| SCHEMBL10684163 | 0.60 | CYP2A6 (1.00) | ALDH1A1CYP2A6CYP1A2TSHRMAPK1 | |
| SCHEMBL29903166 | 0.60 | CYP2A6 (1.00) | ALDH1A1CYP2A6CYP1A2TSHRMAPK1 |
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-2418723-A1 | Nonaqueous electrolyte for secondary battery and nonaqueous-electrolyte secondary battery employing the same | Mitsubishi Chemical Corporation (JP) | 2012-02-15 | — | — | EP | disclosed |