Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 6/20 | 0.34 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.34 |
| ▸ | PAX8 | Q06710 | 2/20 | 0.34 |
| ▸ | FYN | P06241 | 1/20 | 0.34 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.34 |
| ▸ | AHR | P35869 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | PDE5A | O76074 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL25640501 | 0.95 | L3MBTL1 (0.34) | ABCG2CYP1A1CYP1A2PAX8FYN | |
| SCHEMBL25640542 | 0.94 | ABCG2 (0.38) | ABCG2CYP1A1CYP1A2PAX8FYN | |
| SCHEMBL25640500 | 0.93 | ABCG2 (0.38) | ABCG2CYP1A1CYP1A2PAX8FYN | |
| SCHEMBL25640656 | 0.92 | CYP1A1 (0.34) | ABCG2CYP1A1CYP1A2PAX8FYN | |
| SCHEMBL25731151 | 0.92 | CYP1A1 (0.34) | ABCG2CYP1A1CYP1A2PAX8FYN | |
| SCHEMBL25640527 | 0.91 | TDP1 (0.34) | ABCG2CYP1A1CYP1A2PAX8FYN | |
| SCHEMBL25640173 | 0.90 | MMP12 (0.32) | ABCG2CYP1A1CYP1A2PAX8FYN | |
| SCHEMBL25640592 | 0.90 | LMNA (0.31) | NPC1MAPT | |
| SCHEMBL25640498 | 0.90 | ABCG2 (0.36) | ABCG2CYP1A1CYP1A2PAX8FYN | |
| SCHEMBL25885312 | 0.90 | ABCG2 (0.34) | ABCG2CYP1A1CYP1A2PAX8FYN |
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-2023113334-A1 | COMPOUND FOR ORGANIC OPTOELECTRONIC DIODE, COMPOSITION FOR ORGANIC OPTOELECTRONIC DIODE, ORGANIC OPTOELECTRONIC DIODE, AND DISPLAY DEVICE | 삼성에스디아이 주식회사 | 2023-06-22 | — | — | WO | disclosed |