Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.39 |
| ▸ | BTK | Q06187 | 1/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.33 |
| ▸ | CTSS | P25774 | 1/20 | 0.33 |
| ▸ | CTSK | P43235 | 1/20 | 0.33 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 3/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1931945 | 0.94 | ALDH1A1 (0.42) | ALDH1A1L3MBTL1BTKEPHX1CTSS | |
| SCHEMBL10006319 | 0.90 | L3MBTL1 (0.42) | ALDH1A1L3MBTL1EPHX1CTSSCTSK | |
| SCHEMBL588154 | 0.89 | EPHX1 (0.41) | ALDH1A1L3MBTL1EPHX1CTSSCTSK | |
| Hydrochloric Acid SCHEMBL27692549 | 0.87 | EPHX1 (0.41) | ALDH1A1L3MBTL1EPHX1CTSSCTSK | |
| SCHEMBL1932287 | 0.86 | NR1H2 (0.41) | ALDH1A1L3MBTL1EPHX1CTSSCTSK | |
| SCHEMBL24530797 | 0.81 | ALDH1A1 (0.37) | ALDH1A1L3MBTL1BTKEPHX1CTSS | |
| SCHEMBL27712358 | 0.81 | CHRM2 (0.39) | ALDH1A1L3MBTL1BTKEPHX1CTSS | |
| SCHEMBL5791426 | 0.80 | NR1H2 (0.35) | ALDH1A1L3MBTL1CTSSCTSKNR1H2 | |
| SCHEMBL5791431 | 0.80 | NR1H2 (0.35) | ALDH1A1L3MBTL1CTSSCTSKNR1H2 | |
| SCHEMBL5792776 | 0.79 | NR1H2 (0.47) | ALDH1A1L3MBTL1EPHX1CTSSCTSK |
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 |
|---|---|---|---|---|---|---|---|
| CN-106795118-B | Heterocyclic compound and their purposes as relevant orphan receptor (ROR) the GAMMA-T inhibitor of retinoids | 武田药品工业株式会社 | 2019-10-08 | — | — | CN | disclosed |
| CN-106795118-A | Heterocyclic compound to they as related orphan receptor (ROR) the GAMMA T inhibitor of retinoids purposes | 武田药品工业株式会社 | 2017-05-31 | — | — | CN | disclosed |
| CN-106232598-A | Cycloalkyl-linked diheterocyclic derivatives | 辉瑞公司 | 2016-12-14 | — | — | CN | disclosed |