Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 4/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | GRM5 | P41594 | 2/20 | 0.36 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | P2RY6 | Q15077 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.32 |
| ▸ | ACACB | O00763 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | IDO1 | P14902 | 1/20 | 0.31 |
| ▸ | ADK | P55263 | 1/20 | 0.30 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3432676 | 0.78 | GRM5 (0.37) | GRM5HAO1P2RY6KDM4E | |
| SCHEMBL28831965 | 0.76 | KIF11 (0.48) | CYP2A6HAO1MAOAMAOBCYP19A1 | |
| SCHEMBL13597750 | 0.76 | KCNH2 (0.44) | KCNH2LMNACYP2A6GRM5HAO1 | |
| SCHEMBL28624467 | 0.76 | CYP2A6 (0.38) | CYP2A6HAO1MAOAMAOBACACB | |
| SCHEMBL22353122 | 0.76 | APP (0.59) | HAO1MAOBMAPTKDM4EALDH1A1 | |
| SCHEMBL31380183 | 0.76 | APP (0.36) | HAO1 | |
| SCHEMBL719360 | 0.76 | LMNA (0.57) | KCNH2LMNACYP2A6GRM5MAOA | |
| SCHEMBL20015814 | 0.76 | LMNA (0.57) | KCNH2LMNACYP2A6GRM5MAOA | |
| SCHEMBL562862 | 0.75 | APP (0.55) | KCNH2GRM5HAO1MAPTSMN1; SMN2 | |
| Charcoal, Activated SCHEMBL31286310 | 0.73 | KCNH2 (0.54) | KCNH2LMNACYP2A6GRM5MAOA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114702504-B | Trifluoromethyl substituted indolopyranone compound, preparation method thereof and application thereof in antitumor drugs | 平顶山学院 | 2023-04-07 | — | — | CN | disclosed |
| CN-114702504-A | Trifluoromethyl substituted indolopyranone compound, preparation method thereof and application thereof in antitumor drugs | 平顶山学院 | 2022-07-05 | — | — | CN | disclosed |