Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.42 |
| ▸ | TP53 | P04637 | 3/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.42 |
| ▸ | RELA | Q04206 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 4/20 | 0.39 |
| ▸ | RAB9A | P51151 | 4/20 | 0.39 |
| ▸ | PDE5A | O76074 | 2/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL25460468 | 0.93 | CYP11B1 (0.43) | ALDH1A1SMN1; SMN2TP53NPSR1MAPT | |
| SCHEMBL25462275 | 0.90 | KMO (0.47) | ALDH1A1SMN1; SMN2TP53MAPTMEN1 | |
| SCHEMBL25460872 | 0.90 | KMO (0.43) | ALDH1A1SMN1; SMN2TP53MAPTKDM4E | |
| SCHEMBL25460998 | 0.88 | CYP11B1 (0.52) | ALDH1A1SMN1; SMN2MAPTKDM4ENPC1 | |
| SCHEMBL25460891 | 0.88 | CYP19A1 (0.43) | ALDH1A1SMN1; SMN2TP53NPSR1MAPT | |
| SCHEMBL25461557 | 0.86 | CYP17A1 (0.43) | ALDH1A1SMN1; SMN2TP53NFKB1NFKB2 | |
| SCHEMBL25460359 | 0.82 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2TP53MAPTMAPK1 | |
| SCHEMBL25462452 | 0.82 | USP1 (0.42) | ALDH1A1SMN1; SMN2TP53NFKB1NFKB2 | |
| SCHEMBL25460090 | 0.82 | SMN1; SMN2 (0.46) | ALDH1A1SMN1; SMN2TP53MAPTHTT | |
| SCHEMBL25460585 | 0.81 | CYP19A1 (0.46) | ALDH1A1SMN1; SMN2TP53NPSR1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023085637-A1 | COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME | 주식회사 엘지화학 | 2023-05-19 | — | — | WO | disclosed |