Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FADS1 | O60427 | 1/20 | 0.60 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | MAOA | P21397 | 3/20 | 0.45 |
| ▸ | MAOB | P27338 | 3/20 | 0.45 |
| ▸ | BCHE | P06276 | 1/20 | 0.45 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.45 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.45 |
| ▸ | ACHE | P22303 | 1/20 | 0.45 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.45 |
| ▸ | HTR6 | P50406 | 1/20 | 0.45 |
| ▸ | NSD2 | O96028 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL4741360 | 0.88 | FADS1 (0.69) | FADS1PDPK1CA1CA2KMT2A | |
| SCHEMBL9541314 | 0.81 | FADS1 (0.69) | FADS1PDPK1CA1CA2KMT2A | |
| SCHEMBL31300377 | 0.81 | FADS1 (0.69) | FADS1PDPK1CA1CA2KMT2A | |
| SCHEMBL31300350 | 0.78 | FADS1 (0.54) | FADS1PDPK1CA1CA2KMT2A | |
| SCHEMBL31300325 | 0.78 | FADS1 (0.64) | FADS1PDPK1CA1CA2KMT2A | |
| SCHEMBL4935777 | 0.75 | FADS1 (1.00) | FADS1PDPK1CA1CA2KMT2A | |
| SCHEMBL15137259 | 0.75 | EGFR (0.54) | FADS1PDPK1KMT2AMAOAMAOB | |
| SCHEMBL2322457 | 0.73 | PDPK1 (0.70) | FADS1PDPK1CA1CA2MAOA | |
| SCHEMBL28109682 | 0.72 | PDPK1 (0.54) | FADS1PDPK1CA1CA2KMT2A | |
| SCHEMBL12047881 | 0.72 | FADS1 (0.57) | FADS1PDPK1CA1CA2KMT2A |
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-107556366-B | Compound having mutant isocitrate dehydrogenase inhibitory activity, process for producing the same, and use thereof | 上海海和药物研究开发股份有限公司 | 2025-02-07 | — | — | CN | disclosed |