Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | CD44 | P16070 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | CASP1 | P29466 | 1/20 | 0.32 |
| ▸ | CASP7 | P55210 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.32 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.32 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.32 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 2/20 | 0.31 |
| ▸ | TAAR1 | Q96RJ0 | 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 | |
|---|---|---|---|---|
| SCHEMBL29799761 | 0.84 | CYP3A4 (0.39) | CYP3A4TSHRPIK3CAALDH1A1TDP1 | |
| SCHEMBL933021 | 0.84 | CYP3A4 (0.39) | CYP3A4TSHRPIK3CAALDH1A1TDP1 | |
| Hydrochloric Acid SCHEMBL15158274 | 0.83 | CYP3A4 (0.37) | CYP3A4TSHRPIK3CAALDH1A1TDP1 | |
| SCHEMBL32676372 | 0.77 | MAPT (0.37) | CYP3A4TSHRPIK3CAALDH1A1TDP1 | |
| SCHEMBL2018207 | 0.75 | KDM4E (0.36) | CYP3A4TSHRPIK3CAALDH1A1TDP1 | |
| SCHEMBL4259819 | 0.75 | HSD17B10 (0.36) | CYP3A4TSHRPIK3CAALDH1A1TDP1 | |
| SCHEMBL31204396 | 0.75 | KDM4E (0.36) | CYP3A4TSHRPIK3CAALDH1A1TDP1 | |
| SCHEMBL4628755 | 0.72 | HDAC1 (0.48) | ALDH1A1HPGDHSD17B10 | |
| SCHEMBL5149864 | 0.71 | HDAC1 (0.47) | ALDH1A1HPGDHSD17B10 | |
| SCHEMBL11901586 | 0.71 | MAPT (0.50) | CYP3A4TSHRALDH1A1TDP1HPGD |
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-2021026375-A1 | FUSED BICYCLIC COMPOUNDS FOR THE TREATMENT OF PAIN | ALKERMES, INC. (US) | 2021-02-11 | — | — | WO | disclosed |