Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRAF | P15056 | 1/20 | 0.45 |
| ▸ | CSF1R | P07333 | 1/20 | 0.43 |
| ▸ | GSK3B | P49841 | 1/20 | 0.43 |
| ▸ | ABL1 | P00519 | 3/20 | 0.40 |
| ▸ | BCR | P11274 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.40 |
| ▸ | TEK | Q02763 | 1/20 | 0.39 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | NAMPT | P43490 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29172485 | 1.00 | BRAF (0.45) | BRAFCSF1RGSK3BABL1BCR | |
| SCHEMBL29172517 | 0.92 | CYP11B1 (0.47) | ABL1BCRMAPTKDM4EABCG2 | |
| SCHEMBL30725853 | 0.92 | CYP11B1 (0.47) | ABL1BCRMAPTKDM4EABCG2 | |
| SCHEMBL29172524 | 0.91 | PRKCA (0.43) | ABL1BCRMAPTNPC1RAB9A | |
| SCHEMBL30725845 | 0.89 | BRAF (0.48) | BRAFABL1BCRMAPTKDM4E | |
| SCHEMBL29172518 | 0.89 | BRAF (0.48) | BRAFABL1BCRMAPTKDM4E | |
| SCHEMBL30725863 | 0.87 | MAPT (0.47) | MAPTKDM4ETEKNPC1RAB9A | |
| SCHEMBL29172525 | 0.87 | MAPT (0.47) | MAPTKDM4ETEKNPC1RAB9A | |
| SCHEMBL30725850 | 0.85 | L3MBTL1 (0.46) | MAPTKDM4ENPC1RAB9AALDH1A1 | |
| SCHEMBL30725852 | 0.85 | CYP11B1 (0.46) | BRAFABL1BCRMAPTROCK2 |
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-117186066-A | Indazole ALK5 inhibitor and preparation method and application thereof | 中国药科大学 | 2023-12-08 | — | — | CN | disclosed |