Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TMEM97 | Q5BJF2 | 6/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | DHFR | P00374 | 1/20 | 0.39 |
| ▸ | PTGDR2 | Q9Y5Y4 | 9/20 | 0.39 |
| ▸ | F2 | P00734 | 1/20 | 0.39 |
| ▸ | F12 | P00748 | 1/20 | 0.39 |
| ▸ | KDR | P35968 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL30388284 | 0.88 | TMEM97 (0.42) | TMEM97SIGMAR1MEN1ALDH1A1GAA | |
| SCHEMBL3336731 | 0.80 | TMEM97 (0.47) | TMEM97SIGMAR1MEN1ALDH1A1GAA | |
| SCHEMBL3337973 | 0.79 | TMEM97 (0.46) | TMEM97SIGMAR1MEN1ALDH1A1GAA | |
| SCHEMBL19616526 | 0.78 | TMEM97 (0.43) | TMEM97SIGMAR1MEN1ALDH1A1GAA | |
| SCHEMBL30421267 | 0.75 | TMEM97 (0.46) | TMEM97SIGMAR1MEN1KMT2ADHFR | |
| SCHEMBL3340495 | 0.74 | TMEM97 (0.49) | TMEM97SIGMAR1DHFRPTGDR2KDR | |
| SCHEMBL21315070 | 0.74 | TMEM97 (0.45) | TMEM97SIGMAR1MEN1ALDH1A1GAA | |
| SCHEMBL3338693 | 0.74 | TMEM97 (0.48) | TMEM97SIGMAR1DHFRPTGDR2KDR | |
| SCHEMBL21315051 | 0.73 | TMEM97 (0.43) | TMEM97SIGMAR1MEN1ALDH1A1GAA | |
| SCHEMBL19616489 | 0.72 | TMEM97 (0.46) | TMEM97SIGMAR1MEN1KMT2APTGDR2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117813306-A | Heterocyclic compounds as KRAS inhibitors, their preparation and therapeutic use | 上海科州药物研发有限公司 | 2024-04-02 | — | — | CN | disclosed |