Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 2/20 | 0.38 |
| ▸ | TDO2 | P48775 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.32 |
| ▸ | LTA4H | P09960 | 1/20 | 0.31 |
| ▸ | HTR1A | P08908 | 1/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL933759 | 0.82 | IDO1 (0.39) | HTTALDH1A1CYP2C19CYP3A4ALOX15 | |
| SCHEMBL29896649 | 0.82 | IDO1 (0.39) | HTTALDH1A1CYP2C19CYP3A4ALOX15 | |
| SCHEMBL10053218 | 0.81 | CYP2C19 (0.41) | HTTALDH1A1CYP2C19CYP3A4ALOX15 | |
| SCHEMBL14824583 | 0.79 | HTT (0.38) | HTTALDH1A1CYP2C19CYP3A4ALOX15 | |
| SCHEMBL19810425 | 0.78 | KMT2A (0.43) | HTTALDH1A1CYP2C19CYP3A4ALOX15 | |
| SCHEMBL12124965 | 0.78 | ESR1 (0.48) | CYP2C19CYP3A4CYP2C9TSHRL3MBTL1 | |
| SCHEMBL18865623 | 0.77 | CYP2C19 (0.46) | HTTALDH1A1CYP2C19CYP3A4ALOX15 | |
| SCHEMBL29691210 | 0.77 | CYP2C19 (0.46) | HTTALDH1A1CYP2C19CYP3A4ALOX15 | |
| SCHEMBL22824154 | 0.76 | CASP1 (0.44) | ALDH1A1CYP3A4IDO1TDO2L3MBTL1 | |
| SCHEMBL22824152 | 0.76 | CA1 (0.46) | HTTALDH1A1IDO1TDO2TSHR |
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-2020254831-A1 | BICYCLIC HETEROCYCLIC COMPOUNDS AS INHIBITORS OFBCDIN3D ACTIVITY | STORM THERAPEUTICS LTD (GB) | 2020-12-24 | — | — | WO | disclosed |