Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK10 | P53779 | 1/20 | 0.55 |
| ▸ | TNNI3K | Q59H18 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.50 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.50 |
| ▸ | AURKA | O14965 | 2/20 | 0.50 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.50 |
| ▸ | EGFR | P00533 | 4/20 | 0.48 |
| ▸ | ERBB3 | P21860 | 1/20 | 0.48 |
| ▸ | KMO | O15229 | 1/20 | 0.48 |
| ▸ | CDK4 | P11802 | 1/20 | 0.47 |
| ▸ | CDK2 | P24941 | 1/20 | 0.47 |
| ▸ | JAK2 | O60674 | 1/20 | 0.46 |
| ▸ | JAK1 | P23458 | 1/20 | 0.46 |
| ▸ | TYK2 | P29597 | 1/20 | 0.46 |
| ▸ | JAK3 | P52333 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL25389479 | 1.00 | MAPK10 (0.55) | MAPK10TNNI3KNPC1ALDH1A1GAA | |
| SCHEMBL30443326 | 0.89 | MAPK10 (0.55) | MAPK10TNNI3KNPC1ALDH1A1GAA | |
| SCHEMBL25388907 | 0.89 | MAPK10 (0.55) | MAPK10TNNI3KNPC1ALDH1A1GAA | |
| SCHEMBL3226915 | 0.86 | S1PR1 (0.61) | MAPK10TNNI3KNPC1ALDH1A1GAA | |
| SCHEMBL13472417 | 0.82 | KMO (0.46) | EGFRERBB3KMOJAK1TYK2 | |
| SCHEMBL3227948 | 0.81 | S1PR1 (0.61) | MAPK10TNNI3KNPC1ALDH1A1GAA | |
| SCHEMBL13300992 | 0.80 | MAPK8 (0.62) | MAPK10TNNI3KALDH1A1MAPTAKR1C3 | |
| SCHEMBL23412940 | 0.79 | MAPT (0.55) | MAPK10NPC1ALDH1A1GAAMAPT | |
| SCHEMBL30097667 | 0.79 | MAPT (0.55) | MAPK10NPC1ALDH1A1GAAMAPT | |
| SCHEMBL13321937 | 0.79 | MAPK10 (0.61) | MAPK10TNNI3KNPC1ALDH1A1GAA |
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-116113626-A | Compound with anti-tumor activity and application thereof | 上海翊石医药科技有限公司 | 2023-05-12 | — | — | CN | disclosed |
| WO-2022048631-A1 | COMPOUND HAVING ANTITUMOR ACTIVITY AND USE THEREOF | 上海翊石医药科技有限公司 | 2022-03-10 | — | — | WO | disclosed |