Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLCG1 | P19174 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.38 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.38 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA7 | P43166 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 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 | |
|---|---|---|---|---|
| SCHEMBL1138688 | 0.88 | PLCG1 (0.46) | PLCG1NPC1KMT2ATAAR1CA2 | |
| SCHEMBL14426941 | 0.85 | KMT2A (0.43) | PLCG1NPC1KMT2ATSHRHTT | |
| SCHEMBL12309803 | 0.81 | CA2 (0.52) | KMT2ATAAR1L3MBTL1CA2EGFR | |
| SCHEMBL16971182 | 0.81 | TAAR1 (0.53) | PLCG1KMT2ATAAR1TSHRHTT | |
| SCHEMBL10289671 | 0.79 | KMT2A (0.58) | KMT2ATSHRCA2POLBCA1 | |
| SCHEMBL2028261 | 0.79 | PLCG1 (0.43) | PLCG1NPC1TAAR1TSHRHTT | |
| SCHEMBL12849816 | 0.78 | KMT2A (0.44) | KMT2ATSHRCA2POLBNPY5R | |
| SCHEMBL9200717 | 0.78 | PLCG1 (0.46) | PLCG1NPC1TAAR1TSHRHTT | |
| SCHEMBL17916990 | 0.77 | PSIP1 (0.57) | KMT2ATAAR1CA2CA12CA1 | |
| SCHEMBL775451 | 0.77 | LMNA (0.44) | KMT2ATAAR1L3MBTL1POLBNPY5R |
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-2018086604-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATIONS THEREOF | 山东罗欣药业集团股份有限公司 | 2018-05-17 | — | — | WO | disclosed |