Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 4/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | MDM4 | O15151 | 1/20 | 0.48 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | GFER | P55789 | 2/20 | 0.44 |
| ▸ | CNR1 | P21554 | 3/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28906358 | 0.83 | ESR1 (0.57) | KDM4EALDH1A1PTGS2HSD17B10HTR2A | |
| SCHEMBL28906378 | 0.83 | TUBB4A (0.53) | HPGDALDH1A1CNR1PTGS2HTR2A | |
| SCHEMBL28024124 | 0.80 | ESR1 (0.65) | KIF11HPGDCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL28960401 | 0.77 | MDM4 (0.68) | KIF11HPGDCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL28486502 | 0.75 | KIF11 (0.51) | KIF11HPGDCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL28906355 | 0.73 | PTGS2 (0.53) | HPGDKDM4EALDH1A1CNR1PTGS2 | |
| SCHEMBL28855249 | 0.73 | KIF11 (0.49) | KIF11HPGDCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL19256986 | 0.73 | KIF11 (0.67) | KIF11HPGDMDM4MDM2KDM4E | |
| SCHEMBL12939133 | 0.71 | F2 (0.61) | KIF11HPGDCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL607346 | 0.71 | KIF11 (1.00) | KIF11KDM4EALDH1A1HSD17B10NPC1 |
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-115304533-A | Bis-indole methane type alpha-glucosidase inhibitor and preparation method and application thereof | 中国医学科学院药用植物研究所云南分所 | 2022-11-08 | — | — | CN | disclosed |