Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 3/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.32 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.31 |
| ▸ | MECP2 | P51608 | 1/20 | 0.30 |
| ▸ | MBD2 | Q9UBB5 | 1/20 | 0.30 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL18732029 | 0.82 | ALDH1A1 (0.38) | CYP1A2KDM1AMAOBEPHX1PAX8 | |
| SCHEMBL18562520 | 0.78 | MEN1 (0.33) | KDM1AMAOBESR2ALDH1A1 | |
| SCHEMBL18561144 | 0.78 | MEN1 (0.33) | KDM1AMAOBESR2ALDH1A1 | |
| SCHEMBL18544699 | 0.76 | ALDH1A1 (0.34) | CYP1A2ALDH1A1 | |
| SCHEMBL18545037 | 0.66 | KDM1A (0.38) | CYP1A2KDM1AMAOBEPHX1PAX8 | |
| SCHEMBL18820848 | 0.66 | P2RX7 (0.36) | CYP1A2KDM1AMAOBEPHX1MECP2 | |
| SCHEMBL16688050 | 0.62 | ALDH1A1 (0.38) | CYP1A2ALDH1A1 | |
| SCHEMBL20618802 | 0.60 | ALDH1A1 (0.46) | CYP1A2ALDH1A1 | |
| SCHEMBL17774227 | 0.59 | ALDH1A1 (0.47) | CYP1A2KDM1AMAOBEPHX1ALDH1A1 | |
| SCHEMBL19637885 | 0.58 | KDM1A (0.42) | CYP1A2KDM1AMAOBEPHX1PAX8 |
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-2695882-B1 | ORGANIC COMPOUND, CHARGE TRANSPORT MATERIAL, COMPOSITION CONTAINING SAID COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE | MITSUBISHI CHEM CORP (JP) | 2017-03-01 | — | — | EP | disclosed |