Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRKCI | P41743 | 1/20 | 0.47 |
| ▸ | DYRK1A | Q13627 | 6/20 | 0.44 |
| ▸ | DYRK1B | Q9Y463 | 4/20 | 0.41 |
| ▸ | DYRK2 | Q92630 | 3/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.41 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.41 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.41 |
| ▸ | KDM1A | O60341 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | ERN1 | O75460 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL13061962 | 0.91 | PRKCI (0.44) | PRKCIDYRK1ADYRK1BDYRK2HDAC3 | |
| SCHEMBL23653045 | 0.89 | DYRK1A (0.43) | PRKCIDYRK1ADYRK1BCLK1 | |
| SCHEMBL2711041 | 0.88 | QDPR (0.47) | PRKCIDYRK1APIK3CA | |
| SCHEMBL5584893 | 0.88 | DYRK1A (0.42) | PRKCIDYRK1ADYRK1BDYRK2HDAC3 | |
| SCHEMBL14046556 | 0.87 | QDPR (0.51) | PRKCI | |
| SCHEMBL13061824 | 0.80 | CYP2D6 (0.52) | — | |
| SCHEMBL5584639 | 0.79 | NOTUM (0.40) | PRKCIDYRK1ADYRK1BDYRK2CLK1 | |
| SCHEMBL5584643 | 0.79 | QDPR (0.45) | DYRK1ADYRK1BCLK1PIK3CA | |
| SCHEMBL29575028 | 0.78 | L3MBTL1 (0.50) | HDAC4MAPTRAB9ASMN1; SMN2 | |
| SCHEMBL11480538 | 0.77 | EPHX2 (0.40) | SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2404919-A1 | Pharmaceutical composition containing a heterocyclic modulator of ATP-binding cassette transporters. | Vertex Pharmaceuticals Incorporated (US) | 2012-01-11 | — | — | EP | disclosed |