Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | MMP3 | P08254 | 1/20 | 0.43 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.43 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.40 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.40 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | MGLL | Q99685 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL14492415 | 1.00 | ALDH1A1 (0.50) | ALDH1A1TAAR1CYP1A2MAPK1CYP3A4 | |
| SCHEMBL14653450 | 0.91 | MEN1 (0.44) | ALDH1A1TAAR1CYP3A4MGLLBACE1 | |
| SCHEMBL24228784 | 0.85 | MGLL (0.43) | ALDH1A1TAAR1CYP1A2MAPK1CYP3A4 | |
| SCHEMBL14644221 | 0.84 | L3MBTL1 (0.56) | ALDH1A1CYP1A2MAPK1CYP3A4TDP1 | |
| SCHEMBL21389008 | 0.82 | ALDH1A1 (0.43) | ALDH1A1TAAR1CYP1A2MAPK1CYP3A4 | |
| SCHEMBL274934 | 0.82 | — | — | |
| SCHEMBL14419368 | 0.82 | MEN1 (0.51) | ALDH1A1TDP1MAPTSMN1; SMN2 | |
| SCHEMBL14307277 | 0.80 | MEN1 (0.58) | ALDH1A1MAPK1TDP1MAPTSMN1; SMN2 | |
| SCHEMBL9925867 | 0.78 | ACHE (0.44) | ALDH1A1HSD17B10TDP1MAPTCA1 | |
| SCHEMBL20319075 | 0.77 | MAOA (0.44) | ALDH1A1TAAR1CYP3A4SLC22A2SLC22A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022025516-A1 | HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME | 엘티소재주식회사 | 2022-02-03 | — | — | WO | disclosed |
| WO-2013009013-A2 | NOVEL COMPOUND AND ORGANIC ELECTRONIC DEVICE USING SAME | 주식회사 엘지화학 (KR) | 2013-01-17 | — | — | WO | disclosed |