Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 2/20 | 0.43 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.43 |
| ▸ | PARP1 | P09874 | 1/20 | 0.43 |
| ▸ | KRAS | P01116 | 14/20 | 0.39 |
| ▸ | IDH1 | O75874 | 1/20 | 0.39 |
| ▸ | GCK | P35557 | 1/20 | 0.37 |
| ▸ | VHL | P40337 | 1/20 | 0.37 |
| ▸ | CDK7 | P50613 | 1/20 | 0.37 |
| ▸ | CCNH | P51946 | 1/20 | 0.37 |
| ▸ | MNAT1 | P51948 | 1/20 | 0.37 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.37 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL21315050 | 0.92 | KRAS (0.41) | KRASIDH1VHLCDK7CCNH | |
| SCHEMBL21315053 | 0.92 | KRAS (0.41) | KRASIDH1VHLCDK7CCNH | |
| SCHEMBL22479666 | 0.90 | GCK (0.36) | NR1H2NR1H3PARP1KRASGCK | |
| SCHEMBL30189044 | 0.90 | PARP1 (0.42) | NR1H2NR1H3PARP1KRASIDH1 | |
| SCHEMBL19617189 | 0.90 | PARP1 (0.42) | NR1H2NR1H3PARP1KRASIDH1 | |
| SCHEMBL19948333 | 0.90 | PARP1 (0.42) | NR1H2NR1H3PARP1KRASIDH1 | |
| SCHEMBL19636880 | 0.90 | PARP1 (0.42) | NR1H2NR1H3PARP1KRASIDH1 | |
| SCHEMBL30413361 | 0.89 | PARP1 (0.37) | NR1H2NR1H3PARP1IDH1GCK | |
| SCHEMBL19636882 | 0.89 | KRAS (0.44) | PARP1KRASVHLCDK7CCNH | |
| SCHEMBL19947663 | 0.88 | PARP1 (0.41) | NR1H2NR1H3PARP1KRASIDH1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4501932-A2 | KRAS G12C INHIBITORS | Mirati Therapeutics, Inc. (US) | 2025-02-05 | — | — | EP | disclosed |
| CN-113874374-B | Hydrogenated pyridopyrimidine derivative, preparation method and medical application thereof | 江苏恒瑞医药股份有限公司 | 2024-12-27 | — | — | CN | disclosed |
| EP-3880208-B1 | KRAS G12C INHIBITORS | MIRATI THERAPEUTICS INC (US) | 2024-11-20 | — | — | EP | disclosed |
| CN-114901661-B | Novel K-Ras G12C inhibitors | 微境生物医药科技(上海)有限公司 | 2024-07-23 | — | — | CN | disclosed |
| CN-113980014-B | Hydrogenated pyridopyrimidine derivative, preparation method and medical application thereof | 江苏恒瑞医药股份有限公司 | 2023-05-12 | — | — | CN | disclosed |
| CN-114901661-A | Novel K-Ras G12C inhibitors | 微境生物医药科技(上海)有限公司 | 2022-08-12 | — | — | CN | disclosed |