Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 2/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.43 |
| ▸ | KDM1A | O60341 | 1/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 4/20 | 0.39 |
| ▸ | PDE4A | P27815 | 3/20 | 0.39 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.39 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.39 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.39 |
| ▸ | PIM1 | P11309 | 2/20 | 0.37 |
| ▸ | CSNK2B | P67870 | 2/20 | 0.37 |
| ▸ | CSNK2A1 | P68400 | 2/20 | 0.37 |
| ▸ | PIM2 | Q9P1W9 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29549332 | 1.00 | ADORA2A (0.43) | ADORA2AADORA1KDM1APDE4BPDE4A | |
| SCHEMBL19867253 | 0.81 | HTT (0.45) | ADORA2AADORA1PDE4BPDE4APDE4C | |
| SCHEMBL1284289 | 0.80 | PDE4B (0.58) | ADORA2AADORA1PDE4BPDE4APDE4C | |
| SCHEMBL19867182 | 0.78 | ALK (0.46) | ADORA2AADORA1PDE4BPDE4APDE4C | |
| SCHEMBL25637824 | 0.78 | PTK2 (0.54) | ADORA2AADORA1PDE4BPDE4APDE4C | |
| SCHEMBL1283919 | 0.75 | ADORA2A (0.47) | ADORA2AADORA1PDE4BPDE4APDE4C | |
| SCHEMBL24379260 | 0.74 | ALK (0.41) | ADORA2AADORA1PDE4BPDE4APDE4C | |
| SCHEMBL30104177 | 0.73 | SLC22A12 (0.61) | ADORA2AADORA1PDE4BPDE4APDE4C | |
| SCHEMBL30748848 | 0.72 | HTT (0.61) | ADORA2AADORA1PDE4BPDE4APDE4C | |
| SCHEMBL24174509 | 0.72 | HTT (0.61) | ADORA2AADORA1PDE4BPDE4APDE4C |
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-2020257385-A1 | SMALL MOLECULE INHIBITORS OF SRC TYROSINE KINASE | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2020-12-24 | — | — | WO | disclosed |