Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SIRT2 | Q8IXJ6 | 4/20 | 0.38 |
| ▸ | EGFR | P00533 | 3/20 | 0.37 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.36 |
| ▸ | SIRT1 | Q96EB6 | 3/20 | 0.35 |
| ▸ | TAS2R14 | Q9NYV8 | 2/20 | 0.34 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.34 |
| ▸ | AURKA | O14965 | 1/20 | 0.34 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.34 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | MPO | P05164 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL20180393 | 0.87 | SIRT2 (0.39) | ALDH1A1NPC1RAB9ASIRT2EGFR | |
| SCHEMBL17454730 | 0.79 | MAPT (0.43) | ALDH1A1SIRT2KDM4EMEN1KMT2A | |
| SCHEMBL23783789 | 0.74 | KDM4E (0.40) | ALDH1A1KDM4E | |
| SCHEMBL20180123 | 0.73 | EGFR (0.45) | ALDH1A1NPC1RAB9ASIRT2EGFR | |
| SCHEMBL20615335 | 0.72 | MEN1 (0.48) | ALDH1A1NPC1RAB9ASIRT2SIRT1 | |
| SCHEMBL384593 | 0.70 | FABP4 (0.65) | ALDH1A1NPC1RAB9ASIRT2P2RX1 | |
| SCHEMBL14137199 | 0.70 | EGFR (0.57) | ALDH1A1EGFRABCG2KDM4EMEN1 | |
| SCHEMBL338231 | 0.67 | P2RX1 (0.62) | ALDH1A1NPC1RAB9ASIRT2P2RX1 | |
| SCHEMBL28660772 | 0.67 | MAPT (0.69) | ALDH1A1NPC1RAB9ASIRT2P2RX1 | |
| SCHEMBL14339391 | 0.67 | EGFR (0.54) | ALDH1A1EGFRABCG2KDM4EMEN1 |
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-2018093107-A1 | ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME | 주식회사 두산 | 2018-05-24 | — | — | WO | disclosed |