Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | PDE10A | Q9Y233 | 7/20 | 0.36 |
| ▸ | IDO1 | P14902 | 2/20 | 0.34 |
| ▸ | NMUR2 | Q9GZQ4 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | BCAT1 | P54687 | 1/20 | 0.32 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.32 |
| ▸ | VKORC1 | Q9BQB6 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL20114602 | 0.87 | PTGES (0.32) | KDM4EALDH1A1HPGDMEN1KMT2A | |
| SCHEMBL20114229 | 0.83 | — | — | |
| SCHEMBL20114136 | 0.82 | ALOX5 (0.39) | NMUR2KDM4EALDH1A1HPGDABCG2 | |
| SCHEMBL20114176 | 0.81 | IDO1 (0.42) | CYP1A2CYP2C19IDO1NMUR2KDM4E | |
| SCHEMBL20114138 | 0.80 | ALDH1A1 (0.36) | KDM4EALDH1A1HPGDSMN1; SMN2MEN1 | |
| SCHEMBL20114041 | 0.78 | ALDH1A1 (0.38) | ALDH1A1RAB9ASMN1; SMN2MEN1NPC1 | |
| SCHEMBL20114097 | 0.77 | HTR7 (0.42) | ALDH1A1 | |
| SCHEMBL20114168 | 0.76 | ALOX5 (0.41) | NMUR2KDM4EALDH1A1MAPTHPGD | |
| SCHEMBL20114149 | 0.75 | PDK2 (0.32) | — | |
| SCHEMBL20114278 | 0.75 | ALOX5 (0.41) | NMUR2KDM4EALDH1A1HPGDRAB9A |
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-2018080067-A1 | ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE INCLUDING SAME | 주식회사 두산 | 2018-05-03 | — | — | WO | disclosed |