Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 6/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.33 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.33 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.33 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL28913786 | 0.84 | ALDH1A1 (0.44) | ALDH1A1TDP1TSHRHPGDKDM4E | |
| SCHEMBL28563297 | 0.84 | ALDH1A1 (0.44) | ALDH1A1TDP1TSHRHPGDKDM4E | |
| SCHEMBL21603401 | 0.84 | ALDH1A1 (0.44) | ALDH1A1TDP1TSHRHPGDKMT2A | |
| SCHEMBL28557192 | 0.78 | ALDH1A1 (0.36) | ALDH1A1TDP1TSHRKMT2AMEN1 | |
| SCHEMBL2001303 | 0.78 | ALDH1A1 (0.41) | ALDH1A1TDP1TSHRHPGDKMT2A | |
| SCHEMBL28563398 | 0.72 | ALDH1A1 (0.41) | ALDH1A1TDP1TSHRHPGDKDM4E | |
| SCHEMBL1815281 | 0.71 | HSD11B1 (0.49) | HSD11B1ALDH1A1TDP1 | |
| SCHEMBL7851282 | 0.71 | ALDH1A1 (0.50) | ALDH1A1TDP1TSHRHPGDKMT2A | |
| SCHEMBL801243 | 0.71 | ALDH1A1 (0.50) | ALDH1A1TDP1TSHRHPGDKDM4E | |
| SCHEMBL30197316 | 0.70 | ALDH1A1 (0.54) | ALDH1A1TDP1TSHRHPGDKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-112574199-B | Heterocyclic compounds as Kras-G12C inhibitors | 首药控股(北京)股份有限公司 | 2021-05-18 | — | — | CN | disclosed |
| CN-112574199-A | Heterocyclic compounds as Kras-G12C inhibitors | 首药控股(北京)股份有限公司 | 2021-03-30 | — | — | CN | disclosed |