Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 1/20 | 0.49 |
| ▸ | TDO2 | P48775 | 1/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.45 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.45 |
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | PGR | P06401 | 1/20 | 0.41 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL24725990 | 0.81 | ADORA1 (0.47) | DHFRTDO2ADORA2AADORA1NPC1 | |
| SCHEMBL29575632 | 0.81 | ALDH1A1 (0.58) | DHFRTDO2ADORA2AADORA1BACE1 | |
| SCHEMBL398850 | 0.81 | ALDH1A1 (0.58) | DHFRTDO2ADORA2AADORA1BACE1 | |
| SCHEMBL29375963 | 0.79 | ALDH1A1 (0.60) | NPC1RAB9AALDH1A1KDM4EMAPT | |
| SCHEMBL9118621 | 0.79 | ALDH1A1 (0.60) | NPC1RAB9AALDH1A1KDM4EMAPT | |
| SCHEMBL21933948 | 0.78 | ALDH1A1 (0.50) | DHFRTDO2ADORA2AADORA1BACE1 | |
| SCHEMBL17402596 | 0.76 | GSTP1 (0.50) | DHFRADORA2AADORA1NPC1RAB9A | |
| SCHEMBL28623583 | 0.76 | TDO2 (0.47) | DHFRTDO2ADORA2AADORA1NPC1 | |
| SCHEMBL25125392 | 0.76 | MAPK14 (0.47) | DHFRTDO2ADORA2AADORA1ALDH1A1 | |
| SCHEMBL25125118 | 0.76 | ALDH1A1 (0.46) | DHFRADORA2AADORA1RAB9AALDH1A1 |
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-2015122711-A1 | ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME | 주식회사 두산 | 2015-08-20 | — | — | WO | disclosed |