Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.45 |
| ▸ | LMNA | P02545 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28579765 | 0.85 | LMNA (0.46) | KDM1AALDH1A1LMNAKDM4ESMN1; SMN2 | |
| SCHEMBL28670720 | 0.85 | ALDH1A1 (0.45) | KDM1AALDH1A1LMNAKDM4ESMN1; SMN2 | |
| SCHEMBL28660601 | 0.84 | KMT2A (0.40) | KDM1AALDH1A1LMNASMN1; SMN2KMT2A | |
| SCHEMBL28666765 | 0.79 | KMT2A (0.38) | KDM1AALDH1A1LMNAKDM4ESMN1; SMN2 | |
| SCHEMBL177269 | 0.76 | LMNA (0.55) | ALDH1A1LMNAKDM4ETSHRGAA | |
| SCHEMBL177270 | 0.76 | LMNA (0.55) | ALDH1A1LMNAKDM4ETSHRGAA | |
| SCHEMBL16824940 | 0.76 | LMNA (0.55) | ALDH1A1LMNAKDM4ETSHRGAA | |
| SCHEMBL28930446 | 0.75 | KMT2A (0.36) | ALDH1A1LMNAKDM4ESMN1; SMN2TSHR | |
| SCHEMBL2962446 | 0.74 | LMNA (0.48) | ALDH1A1LMNAKDM4ESMN1; SMN2TSHR | |
| SCHEMBL5058415 | 0.72 | DRD2 (0.59) | ALDH1A1LMNAKDM4ETSHRGAA |
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-108997287-B | Method for catalytic synthesis of 4-fluorotetrahydropyran derivative by taking tetrafluoroboric acid ionic liquid as fluorine source | 陕西师范大学 | 2021-12-28 | — | — | CN | disclosed |