Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.45 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.45 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.45 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | ALPL | P05186 | 1/20 | 0.44 |
| ▸ | RXRA | P19793 | 1/20 | 0.44 |
| ▸ | RXRB | P28702 | 1/20 | 0.44 |
| ▸ | BTK | Q06187 | 3/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | AHR | P35869 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL18800711 | 0.85 | ALDH1A1 (0.40) | ALDH1A1KDM4EHPGDNPC1LMNA | |
| SCHEMBL18800676 | 0.85 | BTK (0.60) | PRSS1RXRARXRBBTKMAPT | |
| SCHEMBL18800415 | 0.84 | BTK (0.46) | ALDH1A1KDM4EHPGDNPC1RAB9A | |
| SCHEMBL18800828 | 0.83 | KDM4E (0.42) | ALDH1A1KDM4ELMNAALPLBTK | |
| SCHEMBL18800707 | 0.83 | BTK (0.60) | ALDH1A1KDM4EHPGDNPC1LMNA | |
| SCHEMBL18800839 | 0.81 | ADORA3 (0.41) | ALDH1A1KDM4EHPGDNPC1RAB9A | |
| SCHEMBL18800736 | 0.79 | BTK (0.63) | BTKCHEK2 | |
| SCHEMBL16168193 | 0.78 | PARP10 (0.51) | PRSS1PRSS2PRSS3BTKPARP10 | |
| SCHEMBL18800799 | 0.78 | DYRK1A (0.49) | ALDH1A1KDM4EHPGDNPC1LMNA | |
| SCHEMBL16168188 | 0.77 | ALDH1A1 (0.53) | ALDH1A1HPGDRAB9ASMN1; SMN2BTK |
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-2789615-B1 | Azaindazoles as Btk kinase modulators and use thereof | BRISTOL MYERS SQUIBB CO (US) | 2017-05-03 | — | — | EP | disclosed |