Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 4/20 | 0.53 |
| ▸ | BTK | Q06187 | 6/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HK1 | P19367 | 1/20 | 0.40 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.40 |
| ▸ | TNK2 | Q07912 | 2/20 | 0.39 |
| ▸ | XDH | P47989 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL18800677 | 0.90 | MCL1 (0.46) | MCL1BTKRAB9AALDH1A1MAPT | |
| SCHEMBL18800806 | 0.89 | BTK (0.49) | MCL1BTKALDH1A1MAPTHPGD | |
| SCHEMBL18800779 | 0.89 | XDH (0.47) | MCL1BTKRAB9AXDHNPC1 | |
| SCHEMBL18800674 | 0.88 | ADORA2A (0.49) | MCL1RAB9AALDH1A1MAPTHPGD | |
| SCHEMBL18800781 | 0.87 | MCL1 (0.41) | MCL1BTKRAB9AXDHNPC1 | |
| SCHEMBL18800890 | 0.87 | TNK2 (0.48) | MCL1BTKTNK2 | |
| SCHEMBL18800656 | 0.86 | BTK (0.55) | BTKRAB9AALDH1A1MAPTXDH | |
| SCHEMBL18800817 | 0.86 | TNK2 (0.52) | MCL1BTKTNK2 | |
| SCHEMBL18800649 | 0.85 | MEN1 (0.46) | MCL1BTKRAB9AALDH1A1MAPT | |
| SCHEMBL18800808 | 0.85 | BTK (0.42) | MCL1BTKTNK2XDH |
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 |