Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | GLA | P06280 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
| ▸ | BTK | Q06187 | 6/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | MCL1 | Q07820 | 3/20 | 0.43 |
| ▸ | XDH | P47989 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | ALDH1A3 | P47895 | 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 | |
|---|---|---|---|---|
| SCHEMBL18800663 | 0.92 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2GLAHPGDNPSR1 | |
| SCHEMBL16168193 | 0.89 | PARP10 (0.51) | BTKMCL1XDH | |
| SCHEMBL18800413 | 0.89 | BTK (0.62) | ALDH1A1SMN1; SMN2GLAHPGDNPSR1 | |
| SCHEMBL18800407 | 0.88 | F2 (0.49) | BTKMCL1XDHRAB9A | |
| SCHEMBL18800779 | 0.88 | XDH (0.47) | BTKMCL1XDHRAB9A | |
| SCHEMBL18800659 | 0.88 | BTK (0.51) | ALDH1A1SMN1; SMN2GLAHPGDNPSR1 | |
| SCHEMBL18800785 | 0.87 | MCL1 (0.50) | ALDH1A1HPGDNPSR1BTKMCL1 | |
| SCHEMBL18800677 | 0.87 | MCL1 (0.46) | ALDH1A1BTKMCL1XDHMAPT | |
| SCHEMBL18800766 | 0.87 | BTK (0.47) | ALDH1A1SMN1; SMN2GLAHPGDNPSR1 | |
| SCHEMBL18800717 | 0.85 | BTK (0.45) | BTKMCL1XDHRAB9A |
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-2789615-B1 | Azaindazoles as Btk kinase modulators and use thereof | BRISTOL MYERS SQUIBB CO (US) | 2017-05-03 | — | — | EP | disclosed |
| EP-2789615-A1 | Azaindazoles as Btk kinase modulators and use thereof | Bristol-Myers Squibb Company (US) | 2014-10-15 | — | — | EP | disclosed |