Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 6/20 | 0.41 |
| ▸ | OPRD1 | P41143 | 6/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 6/20 | 0.41 |
| ▸ | OPRL1 | P41146 | 6/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.40 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 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 | |
|---|---|---|---|---|
| SCHEMBL29673073 | 1.00 | KDM4C (0.44) | KDM4CGAASMN1; SMN2OPRM1OPRD1 | |
| Hydrochloric Acid SCHEMBL11077756 | 0.98 | KDM4C (0.44) | KDM4CGAASMN1; SMN2OPRM1OPRD1 | |
| SCHEMBL10888566 | 0.87 | GAA (0.45) | KDM4CGAASMN1; SMN2OPRM1OPRD1 | |
| SCHEMBL11077751 | 0.85 | KDM4C (0.41) | KDM4CGAASMN1; SMN2OPRM1OPRD1 | |
| SCHEMBL10389165 | 0.83 | HSD11B1 (0.44) | GAASMN1; SMN2ALDH1A1HSD11B1NOTUM | |
| SCHEMBL29673123 | 0.83 | KDM4C (0.42) | KDM4CGAASMN1; SMN2OPRM1OPRD1 | |
| SCHEMBL11072517 | 0.83 | KDM4C (0.42) | KDM4CGAASMN1; SMN2OPRM1OPRD1 | |
| SCHEMBL10603105 | 0.83 | KDM4C (0.42) | KDM4CGAASMN1; SMN2OPRM1OPRD1 | |
| SCHEMBL11080128 | 0.80 | SIRT1 (0.39) | OPRM1NOTUM | |
| SCHEMBL11074758 | 0.79 | SIGMAR1 (0.46) | KDM4CSMN1; SMN2OPRM1OPRD1OPRK1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022127827-A1 | KRASG12C PROTEIN MUTATION INHIBITOR AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF | 上海维申医药有限公司 | 2022-06-23 | — | — | WO | disclosed |
| WO-2022127827-A1 | KRASG12C PROTEIN MUTATION INHIBITOR AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF | 上海维申医药有限公司 | 2022-06-23 | — | — | WO | disclosed |
| CN-114644631-A | KRAS G12C protein mutation inhibitor, preparation method thereof, pharmaceutical composition and application thereof | 上海维申医药有限公司 | 2022-06-21 | — | — | CN | disclosed |
| US-4481133-A | NATHTALENE AND INDANE NITRILES | GIVAUDAN CORPORATION (US) | 1984-11-06 | — | — | US | disclosed |
| US-4406828-A | ACETYL AND PROPIONYL INDANES AND TETRALINS | GIVAUDAN CORPORATION (US) | 1983-09-27 | — | — | US | disclosed |