Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.79 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.56 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.55 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | ALDH1A2 | O94788 | 1/20 | 0.47 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | CTRC | Q99895 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL1742859 | 0.97 | CYP1A2 (0.74) | CYP1A2CYP2A6PTGS2PTGS1ALDH1A1 | |
| SCHEMBL29926517 | 0.97 | CYP1A2 (0.74) | CYP1A2CYP2A6PTGS2PTGS1ALDH1A1 | |
| Hydrogen Sulfide SCHEMBL27493182 | 0.95 | CYP1A2 (0.70) | CYP1A2CYP2A6PTGS2PTGS1ALDH1A1 | |
| SCHEMBL24370390 | 0.95 | CYP1A2 (0.70) | CYP1A2CYP2A6PTGS2PTGS1ALDH1A1 | |
| SCHEMBL18045052 | 0.95 | CYP1A2 (0.68) | CYP1A2CYP2A6PTGS2PTGS1ALDH1A1 | |
| SCHEMBL9862848 | 0.92 | CYP1A2 (0.63) | CYP1A2CYP2A6PTGS2PTGS1ALDH1A1 | |
| SCHEMBL31491188 | 0.89 | CYP1A2 (0.60) | CYP1A2CYP2A6PTGS2PTGS1ALDH1A1 | |
| SCHEMBL11151194 | 0.89 | CYP1A2 (0.60) | CYP1A2CYP2A6PTGS2PTGS1ALDH1A1 | |
| SCHEMBL24944485 | 0.89 | CYP1A2 (0.62) | CYP1A2CYP2A6PTGS2PTGS1ALDH1A1 | |
| SCHEMBL4454036 | 0.89 | CYP1A2 (1.00) | CYP1A2CYP2A6ALDH1A1KDM4EPOLB |
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-20230013038-A1 | LIGHT EMITTING DEVICE AND AMINE COMPOUND FOR LIGHT EMITTING DEVICE | SAMSUNG DISPLAY CO., LTD. (KR) | 2023-01-19 | — | — | US | disclosed |