Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 7/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | THRB | P10828 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 3/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.32 |
| ▸ | CASP1 | P29466 | 2/20 | 0.32 |
| ▸ | CRHBP | P24387 | 1/20 | 0.32 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.30 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.30 |
| ▸ | HTR3B | O95264 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL17964095 | 1.00 | CYP3A4 (0.50) | CYP3A4ALDH1A1THRBTSHRTP53 | |
| SCHEMBL7780561 | 0.86 | CYP3A4 (0.45) | CYP3A4ALDH1A1THRBTSHRTP53 | |
| SCHEMBL330561 | 0.80 | CYP3A4 (0.65) | CYP3A4ALDH1A1THRBTSHRTP53 | |
| SCHEMBL30005190 | 0.79 | CYP3A4 (0.50) | CYP3A4ALDH1A1THRBTSHRTP53 | |
| SCHEMBL720468 | 0.79 | CYP3A4 (0.50) | CYP3A4ALDH1A1THRBTSHRTP53 | |
| SCHEMBL1041423 | 0.79 | CYP3A4 (0.39) | CYP3A4ALDH1A1THRBTP53GAA | |
| SCHEMBL28421611 | 0.77 | CYP3A4 (0.61) | CYP3A4ALDH1A1THRBTSHRTP53 | |
| Hydrochloric Acid SCHEMBL8840292 | 0.77 | CYP3A4 (0.61) | CYP3A4ALDH1A1THRBTSHRTP53 | |
| Hydrochloric Acid SCHEMBL15573674 | 0.77 | CYP3A4 (0.48) | CYP3A4ALDH1A1THRBTSHRTP53 | |
| SCHEMBL23205851 | 0.75 | CYP3A4 (0.38) | CYP3A4ALDH1A1THRBTSHRTP53 |
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 |
|---|---|---|---|---|---|---|---|
| CN-119013259-A | Isoquinoline derivatives as inhibitors of BAX and/or BAK, compositions and uses thereof | 森尼布鲁克研究院 | 2024-11-22 | — | — | CN | disclosed |