Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 7/20 | 0.62 |
| ▸ | CYP1B1 | Q16678 | 7/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.62 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.62 |
| ▸ | NFE2L2 | Q16236 | 7/20 | 0.60 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.60 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.54 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.54 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.54 |
| ▸ | KDM1A | O60341 | 1/20 | 0.52 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.52 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 4/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | TFEB | P19484 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL7604736 | 0.82 | CYP1A1 (0.66) | CYP1A1CYP1B1CYP1A2CYP19A1NFE2L2 | |
| SCHEMBL11469961 | 0.80 | NFE2L2 (0.73) | CYP1A1CYP1B1CYP1A2CYP19A1NFE2L2 | |
| SCHEMBL11469960 | 0.80 | NFE2L2 (0.73) | CYP1A1CYP1B1CYP1A2CYP19A1NFE2L2 | |
| SCHEMBL2997151 | 0.78 | CYP1A1 (0.57) | CYP1A1CYP1B1CYP1A2CYP19A1NFE2L2 | |
| SCHEMBL2997152 | 0.78 | CYP1A1 (0.57) | CYP1A1CYP1B1CYP1A2CYP19A1NFE2L2 | |
| SCHEMBL9168164 | 0.77 | NFE2L2 (0.88) | CYP1A1CYP1B1CYP1A2CYP19A1NFE2L2 | |
| SCHEMBL9168170 | 0.77 | NFE2L2 (0.88) | CYP1A1CYP1B1CYP1A2CYP19A1NFE2L2 | |
| SCHEMBL7915752 | 0.77 | NFE2L2 (0.79) | CYP1A1CYP1B1CYP1A2CYP19A1NFE2L2 | |
| SCHEMBL4019329 | 0.77 | NFE2L2 (0.79) | CYP1A1CYP1B1CYP1A2CYP19A1NFE2L2 | |
| SCHEMBL1603719 | 0.77 | NFE2L2 (0.79) | CYP1A1CYP1B1CYP1A2CYP19A1NFE2L2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4054717-A1 | METAL COMPLEXES BEARING BISSTYRYL-BIPYRIDINE LIGAND AND THEIR USE AS PHOTOSENSITIZER AGENT IN ONE AND TWO-PHOTON PHOTODYNAMIC THERAPY | Paris Sciences et Lettres (FR) | 2022-09-14 | — | — | EP | disclosed |