Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | FKBP1A | P62942 | 3/20 | 0.43 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.42 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.40 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.40 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL13291850 | 0.98 | ALDH1A1 (0.47) | ALDH1A1FKBP1ACES2CES1EPHX1 | |
| SCHEMBL813168 | 0.93 | ALDH1A1 (0.47) | ALDH1A1FKBP1ACES2CES1EPHX1 | |
| SCHEMBL31112594 | 0.91 | ALDH1A1 (0.41) | ALDH1A1FKBP1ACES2CES1EPHX1 | |
| SCHEMBL30977763 | 0.91 | NAAA (0.51) | ALDH1A1EPHX1EPHX2 | |
| SCHEMBL31323878 | 0.91 | ALDH1A1 (0.41) | ALDH1A1FKBP1ACES2CES1EPHX1 | |
| SCHEMBL31323830 | 0.91 | ALDH1A1 (0.41) | ALDH1A1FKBP1ACES2CES1EPHX1 | |
| SCHEMBL9776380 | 0.91 | ALDH1A1 (0.41) | ALDH1A1FKBP1ACES2CES1EPHX1 | |
| SCHEMBL5710073 | 0.91 | NAAA (0.51) | ALDH1A1EPHX1EPHX2 | |
| SCHEMBL21569213 | 0.91 | NAAA (0.51) | ALDH1A1EPHX1EPHX2 | |
| SCHEMBL31323822 | 0.91 | ALDH1A1 (0.41) | ALDH1A1FKBP1ACES2CES1EPHX1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-108291148-A | Naphthalene compound for liquid crystal compound | 默克专利股份有限公司 | 2018-07-17 | — | — | CN | disclosed |
| CN-103619993-B | Liquid-crystalline medium | 默克专利股份有限公司 | 2016-10-12 | — | — | CN | disclosed |