Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | THRA | P10827 | 3/20 | 0.33 |
| ▸ | THRB | P10828 | 3/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 3/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.31 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.31 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.31 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.31 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.31 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.31 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL22066370 | 0.83 | TDP1 (0.41) | TDP1MAPTALDH1A1CASP1CYP3A4 | |
| SCHEMBL1638498 | 0.76 | TDP1 (0.56) | TDP1MAPTTSHRHPGDMEN1 | |
| SCHEMBL23435487 | 0.75 | PRSS1 (0.38) | MAPTTSHRALDH1A1THRATHRB | |
| SCHEMBL20156934 | 0.74 | HPGD (0.40) | TDP1ALDH1A1HPGDGAAMEN1 | |
| SCHEMBL8282807 | 0.71 | MLYCD (0.39) | TDP1ALDH1A1HPGDMEN1KMT2A | |
| SCHEMBL24592389 | 0.70 | — | — | |
| SCHEMBL20836577 | 0.70 | TDP1 (0.55) | TDP1MAPTTSHRALDH1A1CASP1 | |
| SCHEMBL19336799 | 0.70 | KMT2A (0.41) | MAPTTSHRHPGDGAAMEN1 | |
| SCHEMBL27939427 | 0.69 | HSD17B3 (0.57) | TDP1MAPTALDH1A1THRATHRB | |
| SCHEMBL13636369 | 0.67 | TDP1 (0.61) | TDP1MAPTTSHRALDH1A1CASP1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3663293-A1 | SUBSTITUTED PENTA- AND HEXA-HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, DRUG COMBINATION AND USE THEREOF | Xiamen University (CN) | 2020-06-10 | — | — | EP | disclosed |