Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.43 |
| ▸ | TP53 | P04637 | 4/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | PKM | P14618 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CCR1 | P32246 | 2/20 | 0.42 |
| ▸ | CCR5 | P51681 | 2/20 | 0.42 |
| ▸ | CCR8 | P51685 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | METAP1 | P53582 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | DOHH | Q9BU89 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL16614437 | 0.91 | KDM4E (0.50) | CYP2A6SMN1; SMN2TP53NPC1ALDH1A1 | |
| SCHEMBL28328948 | 0.86 | KDM4E (0.56) | CYP2A6SMN1; SMN2TP53NPC1ALDH1A1 | |
| SCHEMBL16614443 | 0.85 | NPC1 (0.45) | CYP2A6SMN1; SMN2TP53NPC1ALDH1A1 | |
| SCHEMBL16614439 | 0.84 | CYP2A6 (0.63) | CYP2A6SMN1; SMN2TP53NPC1ALDH1A1 | |
| SCHEMBL21019392 | 0.83 | SMN1; SMN2 (0.52) | CYP2A6SMN1; SMN2TP53NPC1ALDH1A1 | |
| SCHEMBL29395111 | 0.82 | KDM4E (0.62) | CYP2A6SMN1; SMN2TP53NPC1ALDH1A1 | |
| SCHEMBL169510 | 0.82 | KDM4E (0.62) | CYP2A6SMN1; SMN2TP53NPC1ALDH1A1 | |
| SCHEMBL16614448 | 0.81 | MAPT (0.47) | CYP2A6SMN1; SMN2TP53NPC1ALDH1A1 | |
| SCHEMBL9120067 | 0.80 | KDM4E (0.59) | CYP2A6SMN1; SMN2TP53NPC1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL20547526 | 0.80 | KDM4E (0.59) | CYP2A6SMN1; SMN2TP53NPC1ALDH1A1 |
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-2015046982-A2 | ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME | 주식회사 두산 | 2015-04-02 | — | — | WO | disclosed |