Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.57 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.51 |
| ▸ | RET | P07949 | 1/20 | 0.51 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.51 |
| ▸ | PIM1 | P11309 | 1/20 | 0.51 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.51 |
| ▸ | GSK3B | P49841 | 1/20 | 0.51 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.51 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.51 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.51 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.51 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.51 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.51 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.51 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.51 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.51 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL27706536 | 0.97 | TP53 (0.54) | TP53LMNAL3MBTL1CHEK1RET | |
| SCHEMBL22191641 | 0.86 | CYP2D6 (0.67) | TP53LMNAPIM1NR1H4CYP11B1 | |
| SCHEMBL27909176 | 0.85 | CA12 (0.60) | NR1H4ACR | |
| Hydrochloric Acid SCHEMBL22320090 | 0.85 | CYP2D6 (0.65) | TP53LMNAPIM1NR1H4CYP11B1 | |
| SCHEMBL15622965 | 0.83 | NR1H4 (0.72) | TP53LMNAL3MBTL1CHEK1RET | |
| SCHEMBL18926448 | 0.83 | GAA (0.58) | TP53LMNAL3MBTL1CHEK1RET | |
| SCHEMBL2522379 | 0.80 | LMNA (0.62) | TP53LMNAL3MBTL1CHEK1RET | |
| SCHEMBL27894415 | 0.80 | ALPL (0.62) | TP53LMNARAB9AMMEALOX15 | |
| SCHEMBL7386480 | 0.78 | ALPG (0.51) | TP53LMNAL3MBTL1CHEK1RET | |
| SCHEMBL2374361 | 0.77 | LMNA (0.58) | TP53LMNAL3MBTL1CHEK1RET |
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-102906093-B | NK-3 receptor selective antagonists compound, pharmaceutical composition and the using method in the receptor-mediated disease of NK-3 | EUROSCREEN S.A. (BE) | 2016-01-13 | — | — | CN | disclosed |