Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.46 |
| ▸ | CCR8 | P51685 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.43 |
| ▸ | KDM2B | Q8NHM5 | 3/20 | 0.41 |
| ▸ | EGFR | P00533 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL16597967 | 0.84 | PARP10 (0.43) | PARP10CCR8HPGDHTTTSHR | |
| SCHEMBL16597946 | 0.82 | PARP10 (0.47) | PARP10CCR8HTTTSHRMEN1 | |
| SCHEMBL16597715 | 0.81 | TSHR (0.49) | HPGDHTTTSHRMEN1KMT2A | |
| SCHEMBL18017504 | 0.72 | ALDH1A1 (0.45) | HTTKMT2AMAPK1ALDH1A1KDM4E | |
| SCHEMBL28487170 | 0.71 | HPGD (0.53) | HPGDHTTTSHRRAB9AALDH1A1 | |
| SCHEMBL28908390 | 0.69 | RAB9A (0.45) | HPGDTSHRMEN1KMT2AGAA | |
| SCHEMBL18017523 | 0.69 | GPR119 (0.45) | HTTKMT2AMAPK1RAB9AALDH1A1 | |
| SCHEMBL18017499 | 0.69 | ALDH1A1 (0.53) | HPGDTSHRMEN1KMT2AMAPK1 | |
| SCHEMBL12898087 | 0.68 | MAPT (0.56) | HPGDHTTGAAMAPTALDH1A1 | |
| SCHEMBL12898753 | 0.68 | MAPT (0.56) | HPGDHTTGAAMAPTALDH1A1 |
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-3052476-B1 | SUBSTITUTED NICOTINIMIDE INHIBITORS OF BTK AND THEIR PREPARATION AND USE IN THE TREATMENT OF CANCER, INFLAMMATION AND AUTOIMMUNE DISEASE | GUANGZHOU INNOCARE PHARMA TECH CO LTD (CN) | 2020-07-15 | — | — | EP | disclosed |