Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 6/20 | 0.75 |
| ▸ | CYP1B1 | Q16678 | 6/20 | 0.75 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.75 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.61 |
| ▸ | MAPT | P10636 | 2/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.61 |
| ▸ | TSHR | P16473 | 2/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.61 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.61 |
| ▸ | HPGD | P15428 | 1/20 | 0.61 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.61 |
| ▸ | ABCG2 | Q9UNQ0 | 8/20 | 0.45 |
| ▸ | ABCC1 | P33527 | 3/20 | 0.45 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.45 |
| ▸ | APP | P05067 | 1/20 | 0.39 |
| ▸ | EDNRB | P24530 | 2/20 | 0.37 |
| ▸ | EDNRA | P25101 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Pongapin SCHEMBL17554011 | 0.86 | CYP1A1 (1.00) | CYP1A1CYP1B1CYP1A2KDM4EALDH1A1 | |
| Karanjin SCHEMBL7164819 | 0.76 | KDM4E (1.00) | CYP1A1CYP1B1CYP1A2KDM4EALDH1A1 | |
| Karanjin SCHEMBL247164 | 0.76 | KDM4E (1.00) | CYP1A1CYP1B1CYP1A2KDM4EALDH1A1 | |
| SCHEMBL30637383 | 0.75 | ADORA3 (0.52) | KDM4EALDH1A1CYP3A4MAPTCYP2C9 | |
| SCHEMBL29445531 | 0.66 | ACHE (0.42) | CYP1A1CYP1B1CYP1A2KDM4EALDH1A1 | |
| Pongachromene SCHEMBL30637568 | 0.65 | CYP1A2 (0.64) | CYP1A1CYP1B1CYP1A2KDM4EALDH1A1 | |
| SCHEMBL29594411 | 0.65 | ABCG2 (0.73) | KDM4EALDH1A1CYP3A4MAPTMAPK1 | |
| SCHEMBL31512097 | 0.64 | ABCB1 (0.70) | CYP1A1CYP1B1CYP1A2KDM4EALDH1A1 | |
| Meliternatin SCHEMBL9063713 | 0.64 | CYP1A2 (0.55) | CYP1A1CYP1B1CYP1A2KDM4EALDH1A1 | |
| SCHEMBL9063848 | 0.64 | CYP1A1 (0.58) | CYP1A1CYP1B1CYP1A2KDM4EALDH1A1 |
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-2024189607-A1 | METHODS AND BIOAVAILABLE HIGHLY PERMEABLE COMPOUNDS FOR DISEASES TREATMENT | DIDENKO KIRILL (MX) | 2024-09-19 | — | — | WO | disclosed |