Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHKA | P35790 | 6/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.57 |
| ▸ | LMNA | P02545 | 3/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.57 |
| ▸ | HTT | P42858 | 2/20 | 0.57 |
| ▸ | BCHE | P06276 | 1/20 | 0.54 |
| ▸ | ACHE | P22303 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | DRD4 | P21917 | 1/20 | 0.46 |
| ▸ | DRD3 | P35462 | 1/20 | 0.46 |
| ▸ | F2 | P00734 | 1/20 | 0.46 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL93665 | 0.97 | CHKA (0.59) | CHKAALDH1A1LMNASMN1; SMN2HTT | |
| Hydrochloric Acid SCHEMBL30164362 | 0.95 | CHKA (0.57) | CHKAALDH1A1LMNASMN1; SMN2HTT | |
| Bromide SCHEMBL365151 | 0.95 | CHKA (0.61) | CHKAALDH1A1LMNASMN1; SMN2HTT | |
| Hydrochloric Acid SCHEMBL636283 | 0.95 | LMNA (0.63) | CHKAALDH1A1LMNASMN1; SMN2HTT | |
| Bromide SCHEMBL28611338 | 0.95 | CHKA (0.61) | CHKAALDH1A1LMNASMN1; SMN2HTT | |
| Hydrochloric Acid SCHEMBL11598831 | 0.92 | LMNA (0.61) | CHKAALDH1A1LMNASMN1; SMN2HTT | |
| Fluoride SCHEMBL22472142 | 0.92 | CHKA (0.55) | CHKAALDH1A1LMNASMN1; SMN2HTT | |
| Hydrochloric Acid SCHEMBL28191834 | 0.92 | CHKA (0.55) | CHKAALDH1A1LMNASMN1; SMN2HTT | |
| Hydrochloric Acid SCHEMBL31549504 | 0.90 | LMNA (0.59) | CHKAALDH1A1LMNASMN1; SMN2HTT | |
| SCHEMBL10325407 | 0.89 | ACHE (0.64) | CHKAALDH1A1LMNASMN1; SMN2HTT |
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-108440263-B | Method for preparing p-tert-butyl benzaldehyde by liquid-phase oxidation of p-tert-butyl toluene | 南京大学盐城环保技术与工程研究院 | 2021-09-28 | — | — | CN | disclosed |