Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 10/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 9/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11527216 | 0.81 | HTT (0.34) | PTGS1PTGS2OPRK1HTTKMT2A | |
| SCHEMBL21663198 | 0.76 | PTGS1 (0.33) | PTGS1PTGS2OPRK1HTTKMT2A | |
| SCHEMBL25653274 | 0.72 | CA1 (0.33) | PTGS1PTGS2OPRK1HTTKMT2A | |
| SCHEMBL11517543 | 0.71 | MCL1 (0.42) | PTGS1PTGS2OPRK1HTTKMT2A | |
| SCHEMBL12242867 | 0.69 | EPHX1 (0.33) | — | |
| SCHEMBL28795670 | 0.69 | AKR1C4 (0.45) | — | |
| SCHEMBL22462732 | 0.69 | TDP1 (0.37) | KMT2A | |
| SCHEMBL18611288 | 0.69 | CA1 (0.41) | KMT2A | |
| SCHEMBL22772431 | 0.69 | CA1 (0.41) | KMT2A | |
| SCHEMBL24325994 | 0.68 | ALDH1A1 (0.47) | KMT2ACYP2D6 |
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-3505519-A1 | PYRIDINAMINE-SUBSTITUTED HETEROTRICYCLO COMPOUNDS, PREPARATION THEREOF, AND USE IN MEDICINES | Shanghai Haiyan Pharmaceutical Technology Co., Ltd. (CN) | 2019-07-03 | — | — | EP | disclosed |