Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.53 |
| ▸ | RELA | Q04206 | 1/20 | 0.53 |
| ▸ | F3 | P13726 | 2/20 | 0.53 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.53 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.53 |
| ▸ | STAT3 | P40763 | 1/20 | 0.53 |
| ▸ | ESR1 | P03372 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | ABL1 | P00519 | 1/20 | 0.52 |
| ▸ | TTR | P02766 | 1/20 | 0.52 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.52 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.52 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL566691 | 1.00 | ALDH1A1 (0.57) | ALDH1A1CYP2A6CYP3A4KDM4ELMNA | |
| SCHEMBL11875764 | 1.00 | ALDH1A1 (0.57) | ALDH1A1CYP2A6CYP3A4KDM4ELMNA | |
| SCHEMBL11875760 | 1.00 | ALDH1A1 (0.57) | ALDH1A1CYP2A6CYP3A4KDM4ELMNA | |
| SCHEMBL566692 | 1.00 | ALDH1A1 (0.57) | ALDH1A1CYP2A6CYP3A4KDM4ELMNA | |
| SCHEMBL11876953 | 1.00 | ALDH1A1 (0.57) | ALDH1A1CYP2A6CYP3A4KDM4ELMNA | |
| Para-Methoxy Cinnamaldehyde SCHEMBL514958 | 0.92 | ALDH1A1 (0.61) | ALDH1A1CYP2A6CYP3A4KDM4ELMNA | |
| Para-Methoxy Cinnamaldehyde SCHEMBL547945 | 0.92 | ALDH1A1 (0.61) | ALDH1A1CYP2A6CYP3A4KDM4ELMNA | |
| Para-Methoxy Cinnamaldehyde SCHEMBL1046275 | 0.92 | ALDH1A1 (0.61) | ALDH1A1CYP2A6CYP3A4KDM4ELMNA | |
| SCHEMBL2830674 | 0.89 | KDM4E (0.67) | ALDH1A1CYP2A6CYP3A4KDM4ELMNA | |
| SCHEMBL2449266 | 0.87 | KDM4E (0.70) | ALDH1A1CYP2A6CYP3A4KDM4ELMNA |
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-3947337-A | α,ω-Diarylpolyene photosensitizers for sulfonylazide polymers | THE UPJOHN COMPANY (US) | 1976-03-30 | — | — | US | disclosed |