Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.65 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.65 |
| ▸ | NPC1 | O15118 | 1/20 | 0.65 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.65 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.65 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.65 |
| ▸ | HPGD | P15428 | 1/20 | 0.65 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.65 |
| ▸ | RAB9A | P51151 | 1/20 | 0.65 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.65 |
| ▸ | KDM1A | O60341 | 1/20 | 0.63 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.63 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.63 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.56 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.56 |
| ▸ | ESR1 | P03372 | 2/20 | 0.56 |
| ▸ | TUBB4A | P04350 | 2/20 | 0.56 |
| ▸ | TUBB | P07437 | 2/20 | 0.56 |
| ▸ | TUBA3C | P0DPH7 | 2/20 | 0.56 |
| ▸ | TUBA1B | P68363 | 2/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL13400648 | 0.85 | KDM1A (0.53) | CYP1A2KDM4ENPC1CYP3A4CYP2D6 | |
| SCHEMBL26784184 | 0.84 | CYP1A2 (0.62) | CYP1A2KDM4ENPC1CYP3A4CYP2D6 | |
| SCHEMBL13400653 | 0.83 | CYP1A2 (0.61) | CYP1A2KDM4ENPC1CYP3A4CYP2D6 | |
| SCHEMBL29905764 | 0.83 | RELA (0.62) | CYP1A2CYP3A4CYP2D6CYP1A1CYP1B1 | |
| SCHEMBL2641826 | 0.83 | CYP1A2 (0.61) | CYP1A2KDM4ENPC1CYP3A4CYP2D6 | |
| SCHEMBL2641818 | 0.83 | CYP1A2 (0.61) | CYP1A2KDM4ENPC1CYP3A4CYP2D6 | |
| SCHEMBL18678714 | 0.82 | KDM1A (0.58) | CYP1A2KDM4ENPC1CYP3A4CYP2D6 | |
| SCHEMBL7604736 | 0.81 | CYP1A1 (0.66) | CYP1A2KDM4ECYP3A4CYP2D6CYP2C9 | |
| SCHEMBL14599365 | 0.80 | KDM1A (0.56) | CYP1A2KDM4ENPC1CYP3A4CYP2D6 | |
| SCHEMBL8050491 | 0.79 | CYP1A2 (1.00) | CYP1A2KDM4ENPC1CYP3A4CYP2D6 |
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 |