Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.49 |
| ▸ | MAPT | P10636 | 4/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.49 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.49 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.47 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.47 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.47 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.47 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | PPIB | P23284 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28395302 | 0.86 | ALDH1A1 (0.47) | ALDH1A1HTTSMN1; SMN2MAPTNPC1 | |
| SCHEMBL1140385 | 0.82 | MLYCD (0.53) | ALDH1A1HTTSMN1; SMN2MAPTNPC1 | |
| SCHEMBL12322230 | 0.78 | ALDH1A1 (0.55) | ALDH1A1HTTSMN1; SMN2MAPTNPC1 | |
| SCHEMBL8867647 | 0.78 | ALDH1A1 (0.46) | ALDH1A1HTTSMN1; SMN2MAPTNPC1 | |
| SCHEMBL20264485 | 0.78 | HTT (0.46) | ALDH1A1HTTSMN1; SMN2MAPTNPC1 | |
| SCHEMBL12534115 | 0.77 | HSP90AA1 (0.58) | ALDH1A1HTTSMN1; SMN2MAPTNPC1 | |
| SCHEMBL2537515 | 0.76 | ALDH1A1 (0.71) | ALDH1A1HTTSMN1; SMN2MAPTNPC1 | |
| SCHEMBL3458382 | 0.76 | ALDH1A1 (0.53) | ALDH1A1HTTSMN1; SMN2MAPTNPC1 | |
| SCHEMBL19027777 | 0.75 | ALDH1A1 (0.53) | ALDH1A1HTTSMN1; SMN2MAPTNPC1 | |
| SCHEMBL12652664 | 0.74 | ALDH1A1 (0.46) | ALDH1A1HTTSMN1; SMN2MAPTNPC1 |
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-111100058-B | 3, 3-dicarboxylic acid ester-indoline-2-thioketone compound and synthetic method and application thereof | 华东师范大学 | 2023-02-07 | — | — | CN | disclosed |