Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.49 |
| ▸ | CASP6 | P55212 | 1/20 | 0.40 |
| ▸ | CTSB | P07858 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.33 |
| ▸ | MITF | O75030 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | APEX1 | P27695 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | RAD52 | P43351 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CD44 | P16070 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | EP300 | Q09472 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL23409303 | 0.77 | HKDC1 (0.58) | HKDC1CASP6CTSBMAPTALDH1A1 | |
| SCHEMBL29940073 | 0.73 | HKDC1 (0.53) | HKDC1CASP6CTSBMAPTALDH1A1 | |
| SCHEMBL23043385 | 0.73 | HKDC1 (0.58) | HKDC1CASP6CTSBMAPTALDH1A1 | |
| SCHEMBL23043391 | 0.73 | HKDC1 (0.53) | HKDC1CASP6CTSBMAPTALDH1A1 | |
| SCHEMBL29418744 | 0.73 | HKDC1 (0.58) | HKDC1CASP6CTSBMAPTALDH1A1 | |
| SCHEMBL25996486 | 0.69 | HKDC1 (0.49) | HKDC1CASP6CTSBMAPTKDM4E | |
| SCHEMBL25822375 | 0.67 | HKDC1 (0.46) | HKDC1CASP6CTSB | |
| SCHEMBL26059203 | 0.67 | CTSB (0.64) | HKDC1CASP6CTSBMAPTKDM4E | |
| SCHEMBL4880191 | 0.66 | CTSB (0.55) | HKDC1CASP6CTSBMAPTKDM4E | |
| SCHEMBL30064912 | 0.66 | CTSB (0.55) | HKDC1CASP6CTSBMAPTKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023056951-A1 | ARYL-SUBSTITUTED HETEROCYCLIC COMPOUND | 杭州德睿智药科技有限公司 | 2023-04-13 | — | — | WO | disclosed |