Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 7/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 4/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | THRA | P10827 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.34 |
| ▸ | RELA | Q04206 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL14192524 | 0.91 | THRB (0.48) | CYP2C9MAPTLMNAALDH1A1THRB | |
| SCHEMBL14192510 | 0.90 | CYP2C9 (0.52) | CYP2C9MAPTLMNAALDH1A1THRB | |
| SCHEMBL14192430 | 0.89 | CYP2C9 (0.55) | CYP2C9MAPTLMNAALDH1A1THRB | |
| SCHEMBL14192445 | 0.89 | CYP2C9 (0.55) | CYP2C9MAPTLMNAALDH1A1THRB | |
| SCHEMBL10740887 | 0.88 | MAPT (0.51) | CYP2C9MAPTLMNAALDH1A1THRB | |
| SCHEMBL10740900 | 0.88 | MAPT (0.51) | CYP2C9MAPTLMNAALDH1A1THRB | |
| SCHEMBL14192521 | 0.86 | CYP2C9 (0.52) | CYP2C9MAPTLMNAALDH1A1THRB | |
| SCHEMBL10342141 | 0.84 | CYP2C9 (0.43) | CYP2C9MAPTLMNAALDH1A1THRB | |
| SCHEMBL10342142 | 0.84 | CYP2C9 (0.43) | CYP2C9MAPTLMNAALDH1A1THRB | |
| SCHEMBL14192536 | 0.82 | CYP2C9 (0.42) | CYP2C9MAPTLMNAALDH1A1THRB |
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 |
|---|---|---|---|---|---|---|---|
| US-7357964-B2 | Liquid-crystalline vinyl ketone derivatives and their polymers | CHISSO CORPORATION (JP) | 2008-04-15 | — | — | US | disclosed |