Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | GPR3 | P46089 | 1/20 | 0.40 |
| ▸ | F12 | P00748 | 1/20 | 0.39 |
| ▸ | PLAU | P00749 | 1/20 | 0.39 |
| ▸ | NCF1 | P14598 | 1/20 | 0.39 |
| ▸ | NOS3 | P29474 | 1/20 | 0.39 |
| ▸ | NOS1 | P29475 | 1/20 | 0.39 |
| ▸ | NOS2 | P35228 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.35 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.32 |
| ▸ | HPGD | P15428 | 3/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.32 |
| ▸ | PI4KA | P42356 | 2/20 | 0.32 |
| ▸ | PI4K2B | Q8TCG2 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL18673631 | 0.79 | ERN1 (0.46) | KDM4EGPR3F12PLAUNCF1 | |
| SCHEMBL18983193 | 0.73 | ALDH1A1 (0.43) | KDM4EEGFRALDH1A1NPC1LMNA | |
| SCHEMBL17469736 | 0.73 | ALDH1A1 (0.43) | KDM4EEGFRALDH1A1NPC1LMNA | |
| SCHEMBL12490240 | 0.72 | KDM4E (0.47) | KDM4EGPR3F12PLAUNCF1 | |
| SCHEMBL15688552 | 0.71 | CHRM1 (0.45) | KDM4ECYP2A6CYP1A2ALDH1A1HPGD | |
| SCHEMBL15688971 | 0.71 | CHRM1 (0.45) | KDM4ECYP2A6CYP1A2ALDH1A1HPGD | |
| SCHEMBL28301397 | 0.71 | KDM4E (0.50) | KDM4EGPR3F12PLAUNCF1 | |
| SCHEMBL17469804 | 0.70 | KDM1A (0.48) | — | |
| SCHEMBL17469733 | 0.70 | KDM1A (0.48) | — | |
| SCHEMBL7198142 | 0.69 | AURKA (0.44) | KDM4EGPR3PRKCZCYP1A2CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-9780310-B2 | Heterocyclic compound for organic electroluminescent device and its application | TOSOH CORPORATION (JP) | 2017-10-03 | — | — | US | disclosed |