Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCL12 | P48061 | 2/20 | 0.51 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.45 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.43 |
| ▸ | ABCG2 | Q9UNQ0 | 3/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 2/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.40 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.40 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.40 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.40 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.40 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL17318492 | 0.85 | ABCG2 (0.61) | ABCG2KDM4EMAPTMAOBKMT2A | |
| SCHEMBL4584461 | 0.77 | KDM4E (0.51) | NFE2L2KDM4EMAPTHDAC3HDAC4 | |
| SCHEMBL1225317 | 0.77 | KDM4E (0.49) | PTGS1PTGS2KDM4EHDAC3HDAC4 | |
| SCHEMBL4584462 | 0.77 | KDM4E (0.51) | NFE2L2KDM4EMAPTHDAC3HDAC4 | |
| SCHEMBL1225315 | 0.77 | KDM4E (0.49) | PTGS1PTGS2KDM4EHDAC3HDAC4 | |
| SCHEMBL3929433 | 0.76 | TGFBR1 (0.45) | KDM4EMAPTHDAC3HDAC4HDAC1 | |
| SCHEMBL3929435 | 0.76 | TGFBR1 (0.45) | KDM4EMAPTHDAC3HDAC4HDAC1 | |
| SCHEMBL363641 | 0.75 | CXCL12 (0.59) | CXCL12PTGS1PTGS2ABCG2MAPT | |
| SCHEMBL17318481 | 0.74 | CXCL12 (0.61) | CXCL12PTGS1PTGS2ABCG2MAPT | |
| SCHEMBL12501357 | 0.73 | TGFBR1 (0.44) | PTGS2NFE2L2KDM4EMAPTHDAC3 |
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-2015187934-A1 | FUNCTIONALIZED HETROARYL ENONES EXHIBITING NRF2 ACTIVATION AND THEIR METHOD OF USE | CUREVEDA, LLC (US) | 2015-12-10 | — | — | WO | disclosed |