Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 10/20 | 0.51 |
| ▸ | NLRP3 | Q96P20 | 2/20 | 0.51 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | TP53 | P04637 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | STAT6 | P42226 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.43 |
| ▸ | RELA | Q04206 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | THPO | P40225 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL22388761 | 0.68 | PKM (0.72) | PKMNLRP3CYP19A1ALDH1A1LMNA | |
| Micheliolide SCHEMBL22375104 | 0.68 | PKM (1.00) | PKMNLRP3CYP19A1ALDH1A1LMNA | |
| SCHEMBL31006726 | 0.68 | PKM (0.53) | PKMNLRP3CYP19A1ALDH1A1LMNA | |
| Micheliolide SCHEMBL22354429 | 0.68 | PKM (1.00) | PKMNLRP3CYP19A1ALDH1A1LMNA | |
| Micheliolide SCHEMBL18334099 | 0.68 | PKM (1.00) | PKMNLRP3CYP19A1ALDH1A1LMNA | |
| SCHEMBL15941718 | 0.68 | CYP3A4 (0.52) | PKMNLRP3CYP19A1ALDH1A1LMNA | |
| SCHEMBL17301653 | 0.68 | CYP3A4 (0.52) | PKMNLRP3CYP19A1ALDH1A1LMNA | |
| Ludartin SCHEMBL29556149 | 0.67 | CYP19A1 (1.00) | PKMNLRP3CYP19A1ALDH1A1LMNA | |
| Moroccolide A SCHEMBL31238194 | 0.67 | CYP19A1 (0.60) | PKMNLRP3CYP19A1ALDH1A1LMNA | |
| SCHEMBL22388762 | 0.66 | PKM (0.63) | PKMNLRP3CYP19A1ALDH1A1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015161824-A2 | SESQUITERPENOIDS | NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) | 2015-10-29 | — | — | WO | disclosed |