Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.50 |
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CCR1 | P32246 | 2/20 | 0.50 |
| ▸ | CCR5 | P51681 | 2/20 | 0.50 |
| ▸ | CCR8 | P51685 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | METAP1 | P53582 | 1/20 | 0.50 |
| ▸ | BLM | P54132 | 1/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.50 |
| ▸ | DOHH | Q9BU89 | 1/20 | 0.50 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 5/20 | 0.43 |
| ▸ | TP53 | P04637 | 4/20 | 0.43 |
| ▸ | RAB9A | P51151 | 4/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL16614443 | 0.93 | NPC1 (0.45) | KDM4ELMNACYP1A2CCR1CCR5 | |
| SCHEMBL16614440 | 0.91 | CYP2A6 (0.43) | KDM4ELMNACYP1A2CCR1CCR5 | |
| SCHEMBL16614439 | 0.86 | CYP2A6 (0.63) | CYP1A2CYP19A1CYP2A6NPC1TP53 | |
| SCHEMBL27364973 | 0.85 | CYP1A2 (0.47) | KDM4ELMNACYP1A2CCR1CCR5 | |
| SCHEMBL30909388 | 0.83 | KDM4E (0.54) | KDM4ELMNACYP1A2CCR1CCR5 | |
| SCHEMBL30989133 | 0.82 | KDM4E (0.72) | KDM4ELMNACYP1A2CCR1CCR5 | |
| SCHEMBL30989132 | 0.82 | KDM4E (0.72) | KDM4ELMNACYP1A2CCR1CCR5 | |
| SCHEMBL1566968 | 0.82 | KDM4E (0.72) | KDM4ELMNACYP1A2CCR1CCR5 | |
| SCHEMBL29984274 | 0.80 | KDM4E (0.68) | KDM4ELMNACYP1A2CCR1CCR5 | |
| SCHEMBL13458076 | 0.80 | KDM4E (0.68) | KDM4ELMNACYP1A2CCR1CCR5 |
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 |