Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PSMB5 | P28074 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | ACACB | O00763 | 2/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | MGLL | Q99685 | 1/20 | 0.34 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.34 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | KDR | P35968 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL12094978 | 0.82 | ASH1L (0.35) | LMNAKDRCA1CA2 | |
| SCHEMBL18951893 | 0.81 | PIK3CD (0.40) | ALDH1A1ACACBTRPA1MGLLGRIA2 | |
| SCHEMBL22971668 | 0.79 | HTR2C (0.43) | GRIA2GRIN2A | |
| SCHEMBL18914245 | 0.78 | ALDH1A1 (0.39) | ALDH1A1RAB9AKDRCA1CA2 | |
| SCHEMBL12266192 | 0.75 | MGLL (0.39) | ALDH1A1TRPA1MGLLNPC1LMNA | |
| SCHEMBL3377603 | 0.74 | SMN1; SMN2 (0.43) | ALDH1A1SMN1; SMN2KDRCA1CA2 | |
| SCHEMBL590655 | 0.74 | MAP2K1 (0.42) | ALDH1A1MAPTKDR | |
| SCHEMBL3670650 | 0.74 | L3MBTL1 (0.36) | L3MBTL1KDR | |
| SCHEMBL13639754 | 0.74 | SCN8A (0.41) | PSMB5ACACBKDR | |
| SCHEMBL18347240 | 0.74 | MAPK14 (0.56) | ALDH1A1LMNASMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023109929-A1 | HETEROCYCLIC COMPOUND HAVING ANTI-TUMOR ACTIVITY AND USE THEREOF | 石药集团中奇制药技术（石家庄）有限公司 | 2023-06-22 | — | — | WO | disclosed |