Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 4/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | DHODH | Q02127 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.40 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.40 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.40 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.40 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.40 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6830067 | 0.85 | TSHR (0.59) | GPR35TSHRCYP3A4CYP1A2KDM4E | |
| SCHEMBL31392530 | 0.84 | GPR35 (0.69) | GPR35TSHRCYP3A4CYP1A2KDM4E | |
| SCHEMBL4132017 | 0.84 | GPR35 (0.69) | GPR35TSHRCYP3A4CYP1A2KDM4E | |
| SCHEMBL13468191 | 0.82 | DHODH (0.52) | TSHRDHODHALDH1A1MEN1KMT2A | |
| SCHEMBL31399740 | 0.82 | TSHR (0.44) | GPR35TSHRCYP1A2DHODHMAPT | |
| SCHEMBL13468174 | 0.82 | CYP1A2 (0.47) | GPR35TSHRCYP1A2DHODHMAPT | |
| SCHEMBL6828146 | 0.82 | GPR35 (0.52) | GPR35TSHRCYP3A4MAPTALDH1A1 | |
| SCHEMBL28051861 | 0.80 | GPR35 (0.49) | GPR35TSHRCYP3A4CYP1A2MAPT | |
| SCHEMBL260768 | 0.80 | GPR35 (0.67) | GPR35TSHRCYP3A4CYP1A2KDM4E | |
| SCHEMBL1277039 | 0.78 | TSHR (0.60) | GPR35TSHRCYP3A4MAPTALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018011201-A1 | HETEROAROMATIC MODULATORS OF THE RETINOID-RELATED ORPHAN RECEPTOR GAMMA | LEO PHARMA A/S (DK) | 2018-01-18 | — | — | WO | disclosed |