Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 3/20 | 0.42 |
| ▸ | CHUK | O15111 | 1/20 | 0.36 |
| ▸ | SCN9A | Q15858 | 3/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.36 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.35 |
| ▸ | TDP2 | O95551 | 1/20 | 0.34 |
| ▸ | MAT2A | P31153 | 2/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | TEAD1 | P28347 | 1/20 | 0.33 |
| ▸ | TEAD4 | Q15561 | 1/20 | 0.33 |
| ▸ | TEAD2 | Q15562 | 1/20 | 0.33 |
| ▸ | TEAD3 | Q99594 | 1/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | CDK4 | P11802 | 1/20 | 0.32 |
| ▸ | CDK6 | Q00534 | 1/20 | 0.32 |
| ▸ | METAP2 | P50579 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL14329614 | 0.94 | KIF11 (0.38) | KIF11CHUKSCN9ACYP19A1AOC3 | |
| SCHEMBL14329624 | 0.83 | TOP2A (0.42) | CDK4CDK6METAP2 | |
| SCHEMBL14329646 | 0.81 | KCNH2 (0.34) | CYP19A1AOC3PIK3CAKCNH2 | |
| SCHEMBL14331586 | 0.81 | GPBAR1 (0.39) | METAP2 | |
| SCHEMBL14331115 | 0.80 | CYP19A1 (0.44) | CHUKCYP19A1TDP2 | |
| SCHEMBL14329649 | 0.80 | MAPK10 (0.42) | CYP19A1 | |
| SCHEMBL14330540 | 0.79 | MAOA (0.40) | CDK4CDK6 | |
| SCHEMBL14329632 | 0.78 | TOP2A (0.33) | CDK4CDK6 | |
| SCHEMBL14329639 | 0.78 | TOP2A (0.40) | — | |
| SCHEMBL14330566 | 0.77 | GPBAR1 (0.34) | TDP2METAP2 |
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-8771844-B2 | Heterocyclic compound and organic light-emitting diode and flat display device including the heterocyclic compound | SAMSUNG DISPLAY CO., LTD. (KR) | 2014-07-08 | — | — | US | disclosed |