Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Pelargonidin. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.53 |
| ▸ | AKR1B1 | P15121 | 6/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.58 |
| ▸ | P4HB | P07237 | 7/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.57 |
| ▸ | GAA | P10253 | 5/20 | 0.57 |
| ▸ | EPHX2 | P34913 | 4/20 | 0.57 |
| ▸ | POLB | P06746 | 4/20 | 0.57 |
| ▸ | MAPT | P10636 | 4/20 | 0.57 |
| ▸ | SLCO2B1 | O94956 | 3/20 | 0.57 |
| ▸ | MAOA | P21397 | 3/20 | 0.57 |
| ▸ | XDH | P47989 | 3/20 | 0.57 |
| ▸ | CA12 | O43570 | 3/20 | 0.57 |
| ▸ | CA2 | P00918 | 3/20 | 0.57 |
| ▸ | CA4 | P22748 | 3/20 | 0.57 |
| ▸ | CA7 | P43166 | 3/20 | 0.57 |
| ▸ | ALPI | P09923 | 2/20 | 0.57 |
| ▸ | LMNA | P02545 | 2/20 | 0.57 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.57 |
| ▸ | NOX4 | Q9NPH5 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL21408655 | 0.88 | AKR1B1 (0.74) | AKR1B1L3MBTL1P4HBKDM4EGAA | |
| SCHEMBL24608 | 0.88 | AKR1B1 (0.74) | AKR1B1L3MBTL1P4HBKDM4EGAA | |
| SCHEMBL30772268 | 0.88 | AKR1B1 (0.74) | AKR1B1L3MBTL1P4HBKDM4EGAA | |
| Water SCHEMBL21836718 | 0.87 | AKR1B1 (0.73) | AKR1B1L3MBTL1P4HBKDM4EGAA | |
| Acetone SCHEMBL11411008 | 0.86 | AKR1B1 (0.70) | AKR1B1L3MBTL1P4HBKDM4EGAA | |
| Quercetin SCHEMBL5953872 | 0.85 | AKR1B1 (0.70) | AKR1B1L3MBTL1P4HBKDM4EGAA | |
| Quercitrin SCHEMBL17628743 | 0.83 | P4HB (0.81) | AKR1B1L3MBTL1P4HBKDM4EGAA | |
| Flavonol SCHEMBL1278210 | 0.80 | AKR1B1 (0.61) | AKR1B1L3MBTL1P4HBKDM4EGAA | |
| Isoquercetin SCHEMBL6072574 | 0.79 | EPHX2 (0.59) | AKR1B1L3MBTL1P4HBKDM4EGAA | |
| SCHEMBL4650695 | 0.78 | KDM4E (0.70) | AKR1B1L3MBTL1P4HBKDM4EGAA |
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-20110136245-A1 | SYNERGISTIC INTERACTIONS OF PHENOLIC COMPOUNDS FOUND IN FOOD | BRIGHAM YOUNG UNIVERSITY | 2011-06-09 | — | — | US | disclosed |