Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 4/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | HPGD | P15428 | 4/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 9/20 | 0.45 |
| ▸ | MEN1 | O00255 | 8/20 | 0.45 |
| ▸ | RAB9A | P51151 | 3/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.43 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL14293002 | 0.82 | ALOX12 (0.52) | SMN1; SMN2ALDH1A1HPGDKMT2AMEN1 | |
| SCHEMBL15937210 | 0.80 | SMN1; SMN2 (0.56) | SMN1; SMN2NPC1ALDH1A1HPGDKDM4E | |
| SCHEMBL15937212 | 0.79 | SMN1; SMN2 (0.50) | SMN1; SMN2NPC1ALDH1A1HPGDKDM4E | |
| SCHEMBL5527206 | 0.78 | SMN1; SMN2 (0.52) | SMN1; SMN2NPC1ALDH1A1HPGDKDM4E | |
| SCHEMBL4100287 | 0.78 | IDO1 (0.52) | SMN1; SMN2NPC1ALDH1A1HPGDKDM4E | |
| SCHEMBL5528831 | 0.78 | CYP2C9 (0.66) | SMN1; SMN2NPC1ALDH1A1HPGDKDM4E | |
| Hydrochloric Acid SCHEMBL19520755 | 0.76 | IDO1 (0.53) | SMN1; SMN2NPC1ALDH1A1HPGDKDM4E | |
| SCHEMBL9178432 | 0.76 | SMN1; SMN2 (0.50) | SMN1; SMN2NPC1ALDH1A1HPGDKDM4E | |
| SCHEMBL15937211 | 0.76 | SMN1; SMN2 (0.46) | SMN1; SMN2NPC1ALDH1A1HPGDKDM4E | |
| SCHEMBL15100298 | 0.75 | SMN1; SMN2 (0.53) | SMN1; SMN2NPC1ALDH1A1HPGDKDM4E |
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-105379001-A | Malononitrile derivatives as additives for electrolytes in lithium ion batteries | BASF SE | 2016-03-02 | — | — | CN | disclosed |