Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.53 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.52 |
| ▸ | HPGD | P15428 | 2/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.52 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.52 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.48 |
| ▸ | BACE1 | P56817 | 1/20 | 0.48 |
| ▸ | DCUN1D1 | Q96GG9 | 2/20 | 0.46 |
| ▸ | TNF | P01375 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.46 |
| ▸ | DPP4 | P27487 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | MPI | P34949 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 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 | |
|---|---|---|---|---|
| Benzene SCHEMBL28035419 | 0.89 | ALDH1A1 (0.61) | CYP2A6ALDH1A1HSD17B10HPGDMAPK1 | |
| SCHEMBL2361430 | 0.89 | ALDH1A1 (0.61) | CYP2A6ALDH1A1HSD17B10HPGDMAPK1 | |
| SCHEMBL21447 | 0.89 | ALDH1A1 (0.61) | CYP2A6ALDH1A1HSD17B10HPGDMAPK1 | |
| Water SCHEMBL9138909 | 0.86 | ALDH1A1 (0.58) | CYP2A6ALDH1A1HSD17B10HPGDMAPK1 | |
| SCHEMBL9419397 | 0.86 | ALDH1A1 (0.58) | CYP2A6ALDH1A1HSD17B10HPGDMAPK1 | |
| SCHEMBL10908520 | 0.86 | ALDH1A1 (0.58) | CYP2A6ALDH1A1HSD17B10HPGDMAPK1 | |
| SCHEMBL608537 | 0.86 | ALDH1A1 (0.58) | CYP2A6ALDH1A1HSD17B10HPGDMAPK1 | |
| SCHEMBL13387362 | 0.86 | ALDH1A1 (0.58) | CYP2A6ALDH1A1HSD17B10HPGDMAPK1 | |
| Biphenyl SCHEMBL1994657 | 0.86 | ALDH1A1 (0.69) | CYP2A6ALDH1A1HSD17B10HPGDMAPK1 | |
| Ammonia Solution, Strong SCHEMBL4839393 | 0.86 | ALDH1A1 (0.58) | CYP2A6ALDH1A1HSD17B10HPGDMAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-115894533-A | Polycyclic aromatic compound, material for organic device, organic electroluminescent element, display device, and lighting device | 学校法人关西学院 | 2023-04-04 | — | — | CN | disclosed |