Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | MMP3 | P08254 | 1/20 | 0.42 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.38 |
| ▸ | CHKA | P35790 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL22049798 | 1.00 | TAAR1 (0.48) | TAAR1CYP3A4TDP1HSD17B10ALDH1A1 | |
| SCHEMBL22049799 | 0.97 | ALDH1A1 (0.50) | TAAR1CYP3A4TDP1HSD17B10ALDH1A1 | |
| SCHEMBL20837221 | 0.97 | ALDH1A1 (0.50) | TAAR1CYP3A4TDP1HSD17B10ALDH1A1 | |
| SCHEMBL20005583 | 0.90 | ALDH1A1 (0.56) | TAAR1CYP3A4TDP1HSD17B10ALDH1A1 | |
| SCHEMBL20005370 | 0.90 | ALDH1A1 (0.56) | TAAR1CYP3A4TDP1HSD17B10ALDH1A1 | |
| SCHEMBL20005838 | 0.90 | ALDH1A1 (0.56) | TAAR1CYP3A4TDP1HSD17B10ALDH1A1 | |
| SCHEMBL20733755 | 0.89 | MAOA (0.45) | TAAR1CYP3A4TDP1HSD17B10ALDH1A1 | |
| SCHEMBL2936659 | 0.86 | ALDH1A1 (0.46) | CYP3A4TDP1ALDH1A1CYP1A2KDM4E | |
| SCHEMBL22049802 | 0.83 | MAOA (0.48) | TAAR1CYP3A4TDP1HSD17B10ALDH1A1 | |
| SCHEMBL21763378 | 0.83 | ALDH1A1 (0.41) | TAAR1CYP3A4TDP1HSD17B10ALDH1A1 |
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-3428152-B1 | COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME | LG CHEMICAL LTD (KR) | 2021-11-03 | — | — | EP | disclosed |
| WO-2020111140-A1 | FUSED RING COMPOUND, PRODUCTION METHOD THEREFOR, AND ORGANIC ELECTROLUMINESCENCE ELEMENT MATERIAL | 東ソー株式会社 | 2020-06-04 | — | — | WO | disclosed |
| EP-0906948-B1 | Electroluminescent devices | XEROX CORP (US) | 2003-02-12 | — | — | EP | disclosed |