Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | 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 |
| ▸ | LDHA | P00338 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.45 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL30164408 | 0.86 | ALDH1A1 (0.50) | ALDH1A1HTTHSP90AA1PDK1PDK2 | |
| SCHEMBL28391490 | 0.83 | ALDH1A1 (0.38) | ALDH1A1KMT2A | |
| SCHEMBL1140385 | 0.82 | MLYCD (0.53) | ALDH1A1HTTHSP90AA1PDK1PDK2 | |
| SCHEMBL28392555 | 0.81 | HSD17B2 (0.55) | — | |
| SCHEMBL28393169 | 0.80 | ALDH1A1 (0.45) | ALDH1A1MAPTSMN1; SMN2RAB9AKMT2A | |
| SCHEMBL28391469 | 0.80 | KMT2A (0.46) | HTTCA1CA2LMNAKMT2A | |
| SCHEMBL3458382 | 0.80 | ALDH1A1 (0.53) | ALDH1A1HTTHSP90AA1PDK1PDK2 | |
| SCHEMBL28394955 | 0.79 | CHRNB2 (0.44) | ALDH1A1MAPTSMN1; SMN2NPC1RAB9A | |
| SCHEMBL28888243 | 0.79 | FOLH1 (0.43) | MAPTCYP1A2KMT2ACYP2C19 | |
| SCHEMBL28394526 | 0.79 | ALDH1A1 (0.39) | ALDH1A1LDHAMAPTRAB9ALMNA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111116510-B | 2-substituted methylene dihydrobenzo [ d ] thiazole derivatives and synthesis method and application thereof | 华东师范大学 | 2022-07-05 | — | — | CN | disclosed |
| CN-111116510-A | 2-substituted methylene dihydrobenzo [ d ] thiazole derivatives and synthesis method and application thereof | 华东师范大学 | 2020-05-08 | — | — | CN | disclosed |
| CN-111100058-A | 3, 3-dicarboxylic ester-indoline-2-thioketone compound and synthesis method and application thereof | 华东师范大学 | 2020-05-05 | — | — | CN | disclosed |