Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARG | P37231 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.45 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.45 |
| ▸ | F13A1 | P00488 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.43 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.43 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.43 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL24543280 | 1.00 | PPARG (0.52) | PPARGTSHRGAAFFAR1FFAR4 | |
| SCHEMBL8365787 | 0.91 | NPSR1 (0.53) | PPARGFFAR1FFAR4KMT2AMEN1 | |
| SCHEMBL30917833 | 0.83 | F13A1 (0.44) | F13A1KMT2AMEN1HDAC3MAPK1 | |
| SCHEMBL1454248 | 0.82 | TSHR (0.56) | TSHRGAAFFAR1F13A1KMT2A | |
| SCHEMBL4778926 | 0.82 | ACLY (0.58) | FFAR1FFAR4ACLY | |
| SCHEMBL11857473 | 0.82 | MAPT (0.48) | PPARGTSHRKMT2AMEN1 | |
| SCHEMBL14793793 | 0.81 | F13A1 (0.46) | F13A1HDAC3MAPK1ADRA1AHDAC4 | |
| Hydrochloric Acid SCHEMBL9083841 | 0.81 | ACLY (0.57) | FFAR1FFAR4ACLY | |
| SCHEMBL1006607 | 0.81 | TSHR (0.58) | TSHRGAAFFAR1FFAR4F13A1 | |
| SCHEMBL13114188 | 0.80 | GABRA1 (0.38) | PPARGNPSR1 |
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 2 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 |
| 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 |