Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | EBP | Q15125 | 1/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.32 |
| ▸ | LTA4H | P09960 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | BIRC5 | O15392 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL23791204 | 0.83 | MEN1 (0.39) | KMT2AMEN1POLBCYP2D6CYP1A2 | |
| SCHEMBL14920988 | 0.77 | MEN1 (0.41) | KMT2AMEN1POLBCYP2D6CYP1A2 | |
| SCHEMBL5002480 | 0.77 | MEN1 (0.41) | KMT2AMEN1POLBCYP2D6CYP1A2 | |
| SCHEMBL7079430 | 0.75 | MEN1 (0.40) | KMT2AMEN1POLBCYP2D6CYP1A2 | |
| SCHEMBL24578070 | 0.74 | — | — | |
| SCHEMBL25492652 | 0.73 | MEN1 (0.39) | KMT2AMEN1POLBCYP2D6CYP1A2 | |
| SCHEMBL12398415 | 0.73 | MEN1 (0.39) | KMT2AMEN1POLBCYP2D6CYP1A2 | |
| SCHEMBL749808 | 0.73 | MEN1 (0.39) | KMT2AMEN1POLBCYP2D6CYP1A2 | |
| SCHEMBL7751447 | 0.71 | TSHR (0.40) | KMT2AMEN1POLBCYP2D6CYP1A2 | |
| SCHEMBL28422042 | 0.71 | MEN1 (0.38) | KMT2AMEN1POLBCYP2D6CYP1A2 |
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-2022135470-A1 | PREPARATION AND APPLICATION METHOD OF HETEROCYCLIC COMPOUND AS KRAS INHIBITOR | 上海科州药物研发有限公司 | 2022-06-30 | — | — | WO | disclosed |
| WO-2021219072-A1 | PREPARATION AND APPLICATION METHOD OF HETEROCYCLIC COMPOUND AS KRAS INHIBITOR | 上海科州药物研发有限公司 (CN) | 2021-11-04 | — | — | WO | disclosed |