Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A12 | P48065 | 3/20 | 0.35 |
| ▸ | SLC6A11 | P48066 | 3/20 | 0.35 |
| ▸ | SLC6A13 | Q9NSD5 | 3/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.31 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.31 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.31 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.31 |
| ▸ | CHRNA6 | Q15825 | 1/20 | 0.31 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.30 |
| ▸ | DPP4 | P27487 | 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 | |
|---|---|---|---|---|
| SCHEMBL1924790 | 1.00 | SLC6A12 (0.35) | SLC6A12SLC6A11SLC6A13CHRNB2CHRNA3 | |
| SCHEMBL26614925 | 0.83 | SLC6A12 (0.35) | SLC6A12SLC6A11SLC6A13GABRR1 | |
| SCHEMBL26615047 | 0.83 | SLC6A12 (0.35) | SLC6A12SLC6A11SLC6A13GABRR1 | |
| SCHEMBL1586267 | 0.83 | SLC6A12 (0.35) | SLC6A12SLC6A11SLC6A13GABRR1 | |
| SCHEMBL5773307 | 0.83 | SLC6A12 (0.35) | SLC6A12SLC6A11SLC6A13GABRR1 | |
| SCHEMBL2873601 | 0.83 | SLC6A12 (0.35) | SLC6A12SLC6A11SLC6A13GABRR1 | |
| SCHEMBL2873603 | 0.83 | SLC6A12 (0.35) | SLC6A12SLC6A11SLC6A13GABRR1 | |
| SCHEMBL15515497 | 0.82 | GNAI3 (0.36) | DPP4 | |
| SCHEMBL30019423 | 0.82 | GNAI3 (0.36) | DPP4 | |
| SCHEMBL23930873 | 0.82 | SLC6A12 (0.34) | SLC6A12SLC6A11SLC6A13 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021215545-A1 | ANTICANCER COMBINATION THERAPY WITH N-(1-ACRYLOYL-AZETIDIN-3-YL)-2-((1H-INDAZOL-3-YL)AMINO)METHYL)-1H-IMIDAZOLE-5-CARBOXAMIDE INHIBITOR OF KRAS-G12C | TAIHO PHARMACEUTICAL CO., LTD. (JP) | 2021-10-28 | — | — | WO | disclosed |
| EP-2328890-A1 | 6 SUBSTITUTED 2-HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS | Pfizer Inc. (US) | 2011-06-08 | — | — | EP | disclosed |
| WO-2010016005-A1 | 6 SUBSTITUTED 2-HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS | PFIZER INC. (US) | 2010-02-11 | — | — | WO | disclosed |