Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | NNMT | P40261 | 1/20 | 0.42 |
| ▸ | FYN | P06241 | 1/20 | 0.40 |
| ▸ | TUBB4A | P04350 | 2/20 | 0.39 |
| ▸ | TUBB | P07437 | 2/20 | 0.39 |
| ▸ | TUBA3C | P0DPH7 | 2/20 | 0.39 |
| ▸ | TUBA1B | P68363 | 2/20 | 0.39 |
| ▸ | TUBA4A | P68366 | 2/20 | 0.39 |
| ▸ | TUBB4B | P68371 | 2/20 | 0.39 |
| ▸ | TUBB3 | Q13509 | 2/20 | 0.39 |
| ▸ | TUBB2A | Q13885 | 2/20 | 0.39 |
| ▸ | TUBB8 | Q3ZCM7 | 2/20 | 0.39 |
| ▸ | TUBA3E | Q6PEY2 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1707878 | 1.00 | ALDH1A1 (0.43) | ALDH1A1CYP3A4TDP1TSHRHSD17B10 | |
| SCHEMBL29212443 | 0.83 | ALDH1A1 (0.37) | ALDH1A1CYP3A4TDP1TSHRHSD17B10 | |
| Phosphine SCHEMBL25949472 | 0.83 | NNMT (0.37) | ALDH1A1CYP3A4HSD17B10NNMTFYN | |
| SCHEMBL15941597 | 0.83 | ALDH1A1 (0.47) | ALDH1A1CYP3A4TDP1TSHRHSD17B10 | |
| SCHEMBL29713548 | 0.82 | NNMT (0.44) | ALDH1A1CYP3A4HSD17B10NNMTFYN | |
| SCHEMBL706595 | 0.82 | NNMT (0.44) | ALDH1A1CYP3A4HSD17B10NNMTFYN | |
| SCHEMBL23620267 | 0.81 | ALDH1A1 (0.36) | ALDH1A1CYP3A4TDP1TSHRHSD17B10 | |
| SCHEMBL30991332 | 0.81 | ALDH1A1 (0.36) | ALDH1A1CYP3A4TDP1TSHRHSD17B10 | |
| SCHEMBL26087075 | 0.81 | PIK3CD (0.40) | ALDH1A1CYP3A4TDP1TSHRHSD17B10 | |
| SCHEMBL29212414 | 0.80 | ALDH1A1 (0.35) | ALDH1A1CYP3A4TDP1TSHRHSD17B10 |
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-111566110-B | 1,2,3',5' -tetrahydro-2 ' H-spiro [ indole-3, 1' -pyrrolo [3,4-C ] pyrrole ] -2,3' -dione compounds as therapeutic agents for activating TP53 | 阿达梅德制药公司 | 2023-04-25 | — | — | CN | disclosed |