Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.59 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
| ▸ | HTR2C | P28335 | 1/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.47 |
| ▸ | HTR2B | P41595 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | HTR1A | P08908 | 2/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.46 |
| ▸ | HTR1D | P28221 | 1/20 | 0.45 |
| ▸ | HTR1B | P28222 | 1/20 | 0.45 |
| ▸ | HTR1F | P30939 | 1/20 | 0.45 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL4772402 | 0.94 | HRH3 (0.66) | HRH3NPC1RAB9ABAZ2BALDH1A1 | |
| SCHEMBL4591071 | 0.83 | NPC1 (0.53) | NPC1CYP1A2ADRA2AMAOASLC6A2 | |
| SCHEMBL8252690 | 0.83 | NPC1 (0.45) | HRH3NPC1CYP1A2RAB9AALDH1A1 | |
| SCHEMBL5459684 | 0.82 | HRH3 (0.53) | HRH3NPC1CYP1A2RAB9ASMN1; SMN2 | |
| SCHEMBL18949229 | 0.80 | HRH3 (0.46) | HRH3MLNR | |
| SCHEMBL4768153 | 0.80 | LMNA (0.56) | HRH3NPC1RAB9AALDH1A1KDM4E | |
| SCHEMBL4774168 | 0.79 | HRH3 (0.53) | HRH3NPC1RAB9AMLNR | |
| SCHEMBL4771050 | 0.79 | CYP3A4 (0.56) | HRH3NPC1RAB9AL3MBTL1SMN1; SMN2 | |
| SCHEMBL29119496 | 0.78 | MLNR (0.51) | NPC1CYP1A2ADRA2AMAOASLC6A2 | |
| SCHEMBL29119510 | 0.78 | BAZ2B (0.54) | NPC1RAB9ABAZ2BALDH1A1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| CN-116888127-A | Tri-fused ring HPK1 inhibitor and application thereof | 轩竹生物科技股份有限公司 | 2023-10-13 | — | — | CN | disclosed |
| WO-2022188823-A1 | TRICYCLIC HPK1 INHIBITOR AND USE THEREOF | 山东轩竹医药科技有限公司 | 2022-09-15 | — | — | WO | disclosed |