Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRD5A2 | P31213 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 5/20 | 0.50 |
| ▸ | RAB9A | P51151 | 5/20 | 0.50 |
| ▸ | TLR7 | Q9NYK1 | 2/20 | 0.50 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.48 |
| ▸ | CES2 | O00748 | 2/20 | 0.48 |
| ▸ | CES1 | P23141 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | CNR2 | P34972 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL13309954 | 0.83 | ALDH1A1 (0.47) | SRD5A2NPC1RAB9ANR4A1HTT | |
| SCHEMBL2890937 | 0.80 | KMT2A (0.63) | SRD5A2NPC1RAB9ACES2CES1 | |
| SCHEMBL3830943 | 0.79 | KMT2A (0.72) | NPC1RAB9ATLR7CES2CES1 | |
| SCHEMBL29485024 | 0.79 | KMT2A (0.72) | NPC1RAB9ATLR7CES2CES1 | |
| SCHEMBL2162312 | 0.77 | SMN1; SMN2 (0.59) | NPC1RAB9ANR4A1HTTALDH1A1 | |
| SCHEMBL9065412 | 0.77 | SRD5A2 (0.80) | SRD5A2MAPK1NR4A1CES2CES1 | |
| SCHEMBL10697158 | 0.77 | SRD5A2 (0.80) | SRD5A2MAPK1NR4A1CES2CES1 | |
| SCHEMBL1681512 | 0.77 | SRD5A2 (0.80) | SRD5A2MAPK1NR4A1CES2CES1 | |
| SCHEMBL51827 | 0.77 | SRD5A2 (0.80) | SRD5A2MAPK1NR4A1CES2CES1 | |
| Urea SCHEMBL28595140 | 0.75 | KMT2A (0.57) | SRD5A2NPC1RAB9AHTTTSHR |
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-2018080065-A1 | ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME | 주식회사 두산 | 2018-05-03 | — | — | WO | disclosed |