Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIM1 | P11309 | 2/20 | 0.38 |
| ▸ | AURKA | O14965 | 1/20 | 0.33 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 2/20 | 0.32 |
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
| ▸ | CA9 | Q16790 | 2/20 | 0.32 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.32 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.32 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL17151851 | 0.89 | PIM1 (0.36) | PIM1AURKAAURKBCYP1A2CYP3A4 | |
| SCHEMBL22868983 | 0.87 | AURKA (0.33) | AURKAAURKBCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL22868543 | 0.87 | PIM1 (0.34) | PIM1AURKAAURKBCYP1A2CYP3A4 | |
| SCHEMBL17151643 | 0.87 | PIM1 (0.36) | PIM1AURKAAURKBCYP1A2CYP3A4 | |
| SCHEMBL25538295 | 0.87 | PIM1 (0.43) | PIM1CA12CA1CA2CA9 | |
| SCHEMBL18386142 | 0.87 | PIM1 (0.35) | PIM1AURKAAURKBCA12CA1 | |
| SCHEMBL17151642 | 0.86 | ALDH1A1 (0.33) | PIM1AURKAAURKBCA12CA1 | |
| SCHEMBL23743379 | 0.86 | AURKA (0.35) | PIM1AURKAAURKBCA12CA1 | |
| SCHEMBL22868551 | 0.85 | PIM1 (0.37) | PIM1AURKAAURKBCA12CA1 | |
| SCHEMBL25539093 | 0.85 | CYP1A1 (0.42) | PIM1CYP1A2MAPTHSD17B1HSD17B2 |
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-20210005822-A1 | ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME | DUPONT SPECIALTY MATERIALS KOREA LTD (KR) | 2021-01-07 | — | — | US | disclosed |