Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.40 |
| ▸ | MAPT | P10636 | 5/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | MGLL | Q99685 | 1/20 | 0.40 |
| ▸ | MMP3 | P08254 | 1/20 | 0.39 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL21587175 | 0.98 | ALDH1A1 (0.43) | ALDH1A1MAPTL3MBTL1CYP1A2CYP3A4 | |
| SCHEMBL20287989 | 0.89 | ALDH1A1 (0.50) | ALDH1A1MAPTL3MBTL1CYP1A2CYP3A4 | |
| SCHEMBL26725099 | 0.87 | ALDH1A1 (0.50) | ALDH1A1MAPTCYP1A2CYP3A4TDP1 | |
| SCHEMBL7785235 | 0.87 | ALDH1A1 (0.50) | ALDH1A1MAPTCYP1A2CYP3A4TDP1 | |
| SCHEMBL14160264 | 0.82 | ALDH1A1 (0.56) | ALDH1A1MAPTL3MBTL1CYP1A2CYP3A4 | |
| SCHEMBL18288716 | 0.82 | ALDH1A1 (0.56) | ALDH1A1MAPTL3MBTL1CYP1A2CYP3A4 | |
| SCHEMBL10029997 | 0.82 | ALDH1A1 (0.56) | ALDH1A1MAPTL3MBTL1CYP1A2CYP3A4 | |
| SCHEMBL10029836 | 0.82 | ALDH1A1 (0.56) | ALDH1A1MAPTL3MBTL1CYP1A2CYP3A4 | |
| SCHEMBL18288708 | 0.82 | ALDH1A1 (0.56) | ALDH1A1MAPTL3MBTL1CYP1A2CYP3A4 | |
| SCHEMBL10029989 | 0.82 | ALDH1A1 (0.56) | ALDH1A1MAPTL3MBTL1CYP1A2CYP3A4 |
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-2021045347-A1 | NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME | 주식회사 엘지화학 | 2021-03-11 | — | — | WO | disclosed |
| EP-3080229-B1 | MATERIALS FOR ELECTRONIC DEVICES | MERCK PATENT GMBH (DE) | 2018-01-17 | — | — | EP | disclosed |