Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | DHFR | P00374 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.35 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | TYMP | P19971 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL25770446 | 0.86 | CYP2A6 (0.38) | CYP2A6ALDH1A1DHFRCYP1A2TSHR | |
| SCHEMBL12744236 | 0.83 | CYP2A6 (0.54) | CYP2A6ALDH1A1CYP1A2TSHRHPGD | |
| SCHEMBL25770594 | 0.83 | CYP1A2 (0.39) | CYP2A6DHFRCYP1A2KDM4EMAPT | |
| SCHEMBL25776465 | 0.83 | CYP2A6 (0.35) | CYP2A6ALDH1A1CYP1A2TSHRHPGD | |
| SCHEMBL25776516 | 0.83 | ALDH1A1 (0.33) | CYP2A6ALDH1A1SIGMAR1 | |
| SCHEMBL25776585 | 0.83 | ALDH1A1 (0.33) | CYP2A6ALDH1A1KDM4EMAPTPABPC1 | |
| SCHEMBL25770587 | 0.81 | IKBKB (0.36) | CYP2A6ALDH1A1CYP1A2TSHRSMN1; SMN2 | |
| SCHEMBL12914248 | 0.81 | NISCH (0.42) | CYP2A6ALDH1A1CYP1A2TSHRKDM4E | |
| SCHEMBL12914244 | 0.81 | NISCH (0.42) | CYP2A6ALDH1A1CYP1A2TSHRKDM4E | |
| SCHEMBL13908268 | 0.81 | CYP1A2 (0.43) | CYP2A6ALDH1A1CYP1A2KDM4EMAPT |
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-20230212334-A1 | POLYMER, ELECTROLUMINESCENCE MATERIAL, ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC DEVICE | SAMSUNG ELECTRONICS CO LTD (KR) | 2023-07-06 | — | — | US | disclosed |