Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | MMP8 | P22894 | 1/20 | 0.41 |
| ▸ | PIN1 | Q13526 | 2/20 | 0.40 |
| ▸ | CDC25B | P30305 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | F2R | P25116 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Ethyl Acetate SCHEMBL28858805 | 0.87 | ALDH1A1 (0.61) | ALDH1A1HSD17B10LMNACYP1A2CYP3A4 | |
| Ethyl Acetate SCHEMBL27610053 | 0.87 | ALDH1A1 (0.58) | ALDH1A1HSD17B10LMNACYP1A2TSHR | |
| Questiomycin B SCHEMBL28238948 | 0.81 | ALDH1A1 (0.54) | ALDH1A1HSD17B10LMNACYP1A2CYP3A4 | |
| Bromobenzene SCHEMBL27771837 | 0.78 | ALDH1A1 (0.56) | ALDH1A1HSD17B10LMNATSHRMMP8 | |
| Aniline SCHEMBL5361774 | 0.78 | ALDH1A1 (0.56) | ALDH1A1HSD17B10LMNACYP1A2CYP3A4 | |
| Ethyl Acetate SCHEMBL27934098 | 0.77 | ALDH1A1 (0.51) | ALDH1A1HSD17B10LMNACYP1A2TSHR | |
| Aniline SCHEMBL27334107 | 0.77 | ALDH1A1 (0.54) | ALDH1A1HSD17B10LMNACYP1A2CYP3A4 | |
| Acetic Acid Methyl Ester SCHEMBL27589063 | 0.76 | ALDH1A1 (0.44) | ALDH1A1HSD17B10CYP1A2TSHRPOLB | |
| O-Xylene SCHEMBL3225611 | 0.75 | ALDH1A1 (0.64) | ALDH1A1HSD17B10LMNACYP1A2TSHR | |
| Ethyl Acetate SCHEMBL27610052 | 0.75 | ALDH1A1 (0.64) | ALDH1A1HSD17B10LMNACYP1A2TSHR |
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-2023024425-A1 | TRIAZOLONE COMPOUND AND MEDICINAL USE THEREOF | 中国药科大学 | 2023-03-02 | — | — | WO | disclosed |