Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | RECQL | P46063 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | CASP7 | P55210 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 4/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | TACR1 | P25103 | 1/20 | 0.37 |
| ▸ | TACR3 | P29371 | 1/20 | 0.37 |
| ▸ | EDNRB | P24530 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL21496829 | 0.84 | MEN1 (0.41) | ALDH1A1MAPTKDM4ECYP3A4HPGD | |
| SCHEMBL9845298 | 0.83 | ALDH1A1 (0.60) | ALDH1A1TDP1MAPTRECQLKDM4E | |
| Hydrochloric Acid SCHEMBL8017746 | 0.81 | ALDH1A1 (0.59) | ALDH1A1TDP1MAPTRECQLKDM4E | |
| SCHEMBL28234458 | 0.78 | ALDH1A1 (0.41) | ALDH1A1TDP1MAPTRECQLKDM4E | |
| SCHEMBL3368929 | 0.76 | ALDH1A1 (0.57) | ALDH1A1MAPTKDM4EHPGDHSD17B10 | |
| SCHEMBL27416395 | 0.76 | MEN1 (0.39) | ALDH1A1TDP1MAPTRECQLMEN1 | |
| SCHEMBL27896757 | 0.74 | ALDH1A1 (0.39) | ALDH1A1TDP1MAPTRECQLKDM4E | |
| SCHEMBL1471124 | 0.73 | PIN1 (0.53) | ALDH1A1TDP1MEN1KMT2ALMNA | |
| SCHEMBL21722317 | 0.73 | ALDH1A1 (0.39) | ALDH1A1TDP1MAPTRECQLKDM4E | |
| SCHEMBL9845300 | 0.73 | TDP1 (0.39) | ALDH1A1TDP1MAPTRECQLKDM4E |
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-105130893-A | 1-benzyl-6-carbomethoxy methyl tetrahydroisoquinoline derivative, preparation method and application in resisting aggregation of thrombocyte | UNIV DALIAN TECH | 2015-12-09 | — | — | CN | disclosed |