Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VDR | P11473 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | PFKFB3 | Q16875 | 2/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | KDM5A | P29375 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | PKM | P14618 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL696487 | 0.73 | KDM4E (0.50) | KDM4EOPRK1KMT2AMAPKAPK2ALDH1A1 | |
| SCHEMBL12874998 | 0.73 | KDM4E (0.50) | KDM4EOPRK1KMT2AALDH1A1CYP2D6 | |
| SCHEMBL1160513 | 0.72 | KDM4E (0.49) | KDM4EOPRK1KMT2AALDH1A1NPC1 | |
| SCHEMBL9920180 | 0.71 | KDM4E (0.48) | KDM4EOPRK1KMT2AMAPKAPK2ALDH1A1 | |
| SCHEMBL1160511 | 0.69 | JAK1 (0.35) | KDM4EPFKFB3KMT2A | |
| SCHEMBL9920340 | 0.69 | KDM4E (0.32) | KDM4EPFKFB3 | |
| SCHEMBL1160188 | 0.67 | JAK1 (0.52) | — | |
| SCHEMBL24581976 | 0.66 | KDM4E (0.46) | VDRKDM4EOPRK1KMT2AALDH1A1 | |
| SCHEMBL30824580 | 0.66 | KDM4E (0.46) | VDRKDM4EOPRK1KMT2AALDH1A1 | |
| SCHEMBL30780936 | 0.64 | ATP1A1 (0.49) | VDRKDM4EKMT2AALDH1A1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2459562-A1 | PYRROLO [1, 2-B]PYRIDAZINE DERIVATIVES AS JANUS KINASE INHIBITORS | BIOCRYST PHARMACEUTICALS, INC. (US) | 2012-06-06 | — | — | EP | disclosed |
| WO-2011014817-A1 | PYRROLO [1, 2-B] PYRIDAZINE DERIVATIVES AS JANUS KINASE INHIBITORS | BIOCRYST PHARMACEUTICALS, INC. (US) | 2011-02-03 | — | — | WO | disclosed |