Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A | P08913 | 2/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.38 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | APEX1 | P27695 | 1/20 | 0.37 |
| ▸ | RAD52 | P43351 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 2/20 | 0.36 |
| ▸ | CA3 | P07451 | 1/20 | 0.36 |
| ▸ | CA6 | P23280 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL14396118 | 0.81 | HSD17B10 (0.36) | ADRA2AADRA2BADRA2CADRA1AADRB2 | |
| SCHEMBL904017 | 0.80 | CA3 (0.40) | ADRA2AADRA2BADRA2CADRA1AADRB2 | |
| SCHEMBL29495591 | 0.77 | ADRA2A (0.46) | ADRA2AADRA2BADRA2CADRA1AADRB2 | |
| SCHEMBL318772 | 0.71 | CA9 (0.48) | ADRA2AADRA2BADRA2CADRA1AADRB2 | |
| SCHEMBL15746143 | 0.71 | GPR84 (0.31) | — | |
| SCHEMBL5513421 | 0.70 | CA9 (0.53) | ADRA2AADRA2BADRA2CADRA1AADRB2 | |
| SCHEMBL12461283 | 0.70 | — | — | |
| Fluoride SCHEMBL31295684 | 0.69 | CA9 (0.46) | ADRA2AADRA2BADRA2CADRA1AADRB2 | |
| SCHEMBL10290142 | 0.69 | CYP3A4 (0.42) | ADRA2AADRA2BADRA2CADRA1AADRB2 | |
| SCHEMBL8312170 | 0.67 | — | — |
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-2021086833-A1 | SMALL MOLECULE INHIBITORS OF KRAS G12C MUTANT | MERCK SHARP & DOHME CORP. (US) | 2021-05-06 | — | — | WO | disclosed |