Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.57 |
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 4/20 | 0.39 |
| ▸ | CA1 | P00915 | 3/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | ERN1 | O75460 | 1/20 | 0.39 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | FAAH | O00519 | 1/20 | 0.36 |
| ▸ | MGLL | Q99685 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL27696005 | 0.86 | CYP2A6 (0.42) | CYP2A6CES2CES1ALDH1A1ALOX15 | |
| SCHEMBL27882939 | 0.86 | SMN1; SMN2 (0.43) | CYP2A6CES2CES1ALDH1A1MAPK1 | |
| Bromobenzene SCHEMBL27260817 | 0.84 | ALDH1A1 (0.65) | CYP2A6ALDH1A1ALOX15MAPK1TDP1 | |
| Formic Acid SCHEMBL27583412 | 0.79 | CYP2A6 (0.57) | CYP2A6CES2CES1ALDH1A1ALOX15 | |
| SCHEMBL27656252 | 0.79 | ERN1 (0.39) | ALDH1A1TDP1ERN1TSHR | |
| SCHEMBL18508 | 0.76 | — | — | |
| SCHEMBL17231886 | 0.73 | CYP2A6 (0.52) | CYP2A6ALDH1A1 | |
| SCHEMBL6034 | 0.73 | — | — | |
| SCHEMBL10579921 | 0.73 | — | — | |
| SCHEMBL9635137 | 0.72 | CYP2A6 (0.73) | CYP2A6CES2CES1ALDH1A1ALOX15 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100357388-C | Organic electroluminescent compositions | 3M INNOVATIVE PROPERTIES CO (US) | 2007-12-26 | — | — | CN | disclosed |
| CN-1777629-A | Electroactive polymers | 3M INNOVATIVE PROPERTIES CO (US) | 2006-05-24 | — | — | CN | disclosed |
| CN-1764652-A | Ethynyl containing electron transport agents and their use in organic luminescent devices | 3M INNOVATIVE PROPERTIES CO (US) | 2006-04-26 | — | — | CN | disclosed |
| CN-1764708-A | Electron transport agents for organic electronic devices | 3M INNOVATIVE PROPERTIES CO (US) | 2006-04-26 | — | — | CN | disclosed |
| CN-1681903-A | organic electroluminescent composition | 3M INNOVATIVE PROPERTIES CO (US) | 2005-10-12 | — | — | CN | disclosed |