Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | FFAR4 | Q5NUL3 | 5/20 | 0.49 |
| ▸ | FFAR1 | O14842 | 5/20 | 0.49 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | GPR17 | Q13304 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.44 |
| ▸ | RXRA | P19793 | 2/20 | 0.43 |
| ▸ | RXRB | P28702 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5045620 | 1.00 | MEN1 (0.50) | MEN1KMT2AALDH1A1KDM4ECYP1A2 | |
| SCHEMBL24543320 | 0.91 | MEN1 (0.49) | MEN1KMT2AALDH1A1KDM4ECYP1A2 | |
| SCHEMBL29673072 | 0.91 | MEN1 (0.49) | MEN1KMT2AALDH1A1KDM4ECYP1A2 | |
| SCHEMBL8361243 | 0.86 | MEN1 (0.44) | MEN1KMT2AALDH1A1KDM4ECYP1A2 | |
| SCHEMBL5427170 | 0.86 | FFAR1 (0.49) | MEN1KMT2AALDH1A1KDM4ECYP1A2 | |
| SCHEMBL2831742 | 0.84 | MPO (0.54) | MEN1KMT2AALDH1A1KDM4ECYP1A2 | |
| SCHEMBL30911087 | 0.81 | MEN1 (0.52) | MEN1KMT2AALDH1A1KDM4ECYP1A2 | |
| SCHEMBL586345 | 0.81 | PDPK1 (0.59) | ALDH1A1HPGDFFAR1GPR17 | |
| SCHEMBL30567601 | 0.81 | PDPK1 (0.59) | ALDH1A1HPGDFFAR1GPR17 | |
| SCHEMBL1699587 | 0.81 | MEN1 (0.52) | MEN1KMT2AALDH1A1KDM4ECYP1A2 |
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 |