Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.42 |
| ▸ | HPGD | P15428 | 4/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | TP53 | P04637 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | PIN1 | Q13526 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | NPC1 | O15118 | 4/20 | 0.40 |
| ▸ | RAB9A | P51151 | 4/20 | 0.40 |
| ▸ | POLB | P06746 | 3/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11547196 | 0.82 | THRB (0.46) | ALDH1A1SMN1; SMN2HPGDHSD17B10MAPT | |
| SCHEMBL11745010 | 0.82 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2HPGDHSD17B10MAPT | |
| SCHEMBL11622456 | 0.82 | ESR2 (0.39) | ALDH1A1SMN1; SMN2HPGDHSD17B10MAPT | |
| SCHEMBL9925450 | 0.79 | PIN1 (0.49) | ALDH1A1SMN1; SMN2HPGDHSD17B10MAPT | |
| SCHEMBL11622346 | 0.78 | HNF4A (0.50) | ALDH1A1SMN1; SMN2HPGDHSD17B10MAPT | |
| SCHEMBL11672682 | 0.78 | SCN9A (0.39) | ALDH1A1SMN1; SMN2HPGDHSD17B10MAPT | |
| SCHEMBL1742326 | 0.78 | KDM4E (0.52) | ALDH1A1SMN1; SMN2HPGDHSD17B10MAPT | |
| SCHEMBL12203195 | 0.78 | ALDH1A1 (0.44) | ALDH1A1SMN1; SMN2HPGDHSD17B10MAPT | |
| SCHEMBL11674179 | 0.76 | ALDH1A1 (0.54) | ALDH1A1SMN1; SMN2HPGDHSD17B10MAPT | |
| SCHEMBL25047024 | 0.75 | SMN1; SMN2 (0.40) | ALDH1A1SMN1; SMN2HPGDHSD17B10MAPT |
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-109897021-B | Grapevine pentalin derivative, preparation method thereof, pharmaceutical composition and application | 中国医学科学院药物研究所 | 2021-09-14 | — | — | CN | disclosed |