Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | RECQL | P46063 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | HTR2C | P28335 | 2/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | CASP7 | P55210 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.36 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL30931799 | 0.84 | PNMT (0.42) | ALDH1A1MAPTRECQLTDP1KDM4E | |
| SCHEMBL17395273 | 0.83 | ALDH1A1 (0.35) | ALDH1A1MAPTRECQLTDP1KDM4E | |
| SCHEMBL5211064 | 0.82 | MAPK1 (0.36) | ALDH1A1MAPTRECQLTDP1KDM4E | |
| SCHEMBL1202127 | 0.80 | ESR2 (0.41) | ALDH1A1MAPTRECQLTDP1KDM4E | |
| SCHEMBL15112425 | 0.76 | MAPKAPK2 (0.47) | ALDH1A1MAPTRECQLKDM4ETHRB | |
| SCHEMBL1972155 | 0.73 | MTNR1A (0.39) | CASP1MTNR1AMTNR1BSMN1; SMN2ESR1 | |
| SCHEMBL715619 | 0.71 | EPHX2 (0.38) | ALDH1A1RECQLCYP3A4BLMCYP2C19 | |
| SCHEMBL30899459 | 0.71 | EPHX2 (0.38) | ALDH1A1RECQLCYP3A4BLMCYP2C19 | |
| SCHEMBL304611 | 0.71 | EPHX2 (0.38) | ALDH1A1RECQLCYP3A4BLMCYP2C19 | |
| SCHEMBL22145508 | 0.70 | KDM1A (0.46) | HTR2CHTR2AHTR2BKDM1A |
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-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 |