Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 1/20 | 0.35 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.34 |
| ▸ | CNR2 | P34972 | 8/20 | 0.33 |
| ▸ | FABP3 | P05413 | 1/20 | 0.32 |
| ▸ | FABP4 | P15090 | 1/20 | 0.32 |
| ▸ | CNR1 | P21554 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | GLRA1 | P23415 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.32 |
| ▸ | RELA | Q04206 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | THRA | P10827 | 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 | |
|---|---|---|---|---|
| SCHEMBL38650542 | 0.75 | THRB (0.35) | THRATHRB | |
| SCHEMBL21749528 | 0.75 | THRB (0.35) | THRATHRB | |
| SCHEMBL21840321 | 0.75 | THRB (0.35) | GABRA1GABRB1SMN1; SMN2THRATHRB | |
| SCHEMBL29404221 | 0.71 | TDP1 (0.44) | GABRA1GABRB1LMNAALDH1A1 | |
| SCHEMBL1189830 | 0.71 | TDP1 (0.44) | GABRA1GABRB1LMNAALDH1A1 | |
| SCHEMBL3272885 | 0.70 | SMN1; SMN2 (0.38) | SMN1; SMN2CNR2FABP3FABP4NPC1 | |
| SCHEMBL16454720 | 0.70 | GABRA1 (0.37) | GABRA1GABRB1LMNA | |
| SCHEMBL20122648 | 0.70 | GABRA1 (0.37) | GABRA1GABRB1LMNA | |
| SCHEMBL24032649 | 0.68 | GABRA1 (0.35) | GABRA1GABRB1LMNA | |
| SCHEMBL3268711 | 0.68 | TDP1 (0.37) | GABRA1GABRB1LMNA |
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-106187910-A | Pyridazine class derivant and its production and use | 浙江大学 | 2016-12-07 | — | — | CN | disclosed |