Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.65 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.65 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.65 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.65 |
| ▸ | CES2 | O00748 | 2/20 | 0.54 |
| ▸ | MAPT | P10636 | 4/20 | 0.53 |
| ▸ | LMNA | P02545 | 3/20 | 0.53 |
| ▸ | POLB | P06746 | 3/20 | 0.53 |
| ▸ | HTT | P42858 | 2/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | GAA | P10253 | 4/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.51 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.51 |
| ▸ | CES1 | P23141 | 1/20 | 0.49 |
| ▸ | THRB | P10828 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Methyl Alcohol SCHEMBL28228743 | 0.97 | ALDH1A1 (0.65) | ALDH1A1CYP3A4ALOX15TDP1CES2 | |
| SCHEMBL2923533 | 0.97 | ALDH1A1 (0.69) | ALDH1A1CYP3A4ALOX15TDP1CES2 | |
| Methyl Alcohol SCHEMBL28297623 | 0.88 | MAPT (0.59) | ALDH1A1CYP3A4ALOX15TDP1CES2 | |
| SCHEMBL6815300 | 0.88 | MAPT (0.62) | ALDH1A1CYP3A4ALOX15TDP1CES2 | |
| SCHEMBL333161 | 0.88 | MAPT (0.62) | ALDH1A1CYP3A4ALOX15TDP1CES2 | |
| SCHEMBL11852104 | 0.85 | ALDH1A1 (0.60) | ALDH1A1CYP3A4ALOX15TDP1MAPT | |
| SCHEMBL27634588 | 0.85 | LMNA (0.60) | ALDH1A1CYP3A4ALOX15TDP1CES2 | |
| Benzoic Acid SCHEMBL28578342 | 0.84 | TDP1 (0.82) | ALDH1A1CYP3A4ALOX15TDP1CES2 | |
| SCHEMBL27724617 | 0.83 | HDAC2 (0.62) | ALDH1A1CYP3A4ALOX15TDP1CES2 | |
| SCHEMBL27405553 | 0.82 | ALDH1A1 (0.56) | ALDH1A1TDP1CES2MAPTLMNA |
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-104910148-B | Aminotriazole(ATA) and pyridine and its as kinase inhibitor purposes | 西格诺药品有限公司 | 2017-06-27 | — | — | CN | disclosed |