Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 4/20 | 0.37 |
| ▸ | HTR2C | P28335 | 4/20 | 0.37 |
| ▸ | HTR2B | P41595 | 4/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.33 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.33 |
| ▸ | PNMT | P11086 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | HTR5A | P47898 | 1/20 | 0.30 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.30 |
| ▸ | NR2E1 | Q9Y466 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL23465146 | 0.81 | PARP1 (0.32) | HTR2AHTR2CHTR2BPARP1TNKS2 | |
| SCHEMBL30420972 | 0.77 | HTR2A (0.33) | HTR2AHTR2CHTR2BPARP1TNKS2 | |
| SCHEMBL1497107 | 0.77 | HTR2A (0.36) | HTR2AHTR2CHTR2BPARP1TNKS2 | |
| SCHEMBL23979946 | 0.77 | HTR2A (0.33) | HTR2AHTR2CHTR2BPARP1TNKS2 | |
| SCHEMBL23980608 | 0.72 | — | — | |
| SCHEMBL17298716 | 0.71 | KDM4E (0.33) | HTR2AHTR2CHTR2BPARP1TNKS2 | |
| SCHEMBL29428699 | 0.71 | KDM4E (0.33) | HTR2AHTR2CHTR2BPARP1TNKS2 | |
| SCHEMBL30350953 | 0.70 | ACHE (0.43) | KDM4E | |
| SCHEMBL29466625 | 0.70 | ACHE (0.44) | KDM4E | |
| SCHEMBL6457198 | 0.70 | ACHE (0.44) | KDM4E |
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-3710439-A1 | KRAS G12C INHIBITORS | Mirati Therapeutics, Inc. (US) | 2020-09-23 | — | — | EP | disclosed |