Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 7/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 3/20 | 0.39 |
| ▸ | MGAM | O43451 | 2/20 | 0.39 |
| ▸ | SI | P14410 | 2/20 | 0.39 |
| ▸ | MGAM2 | Q2M2H8 | 2/20 | 0.39 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28783300 | 0.95 | KDM4E (0.40) | CYP2D6SLC6A2SLC6A4SLC6A3MAPT | |
| SCHEMBL28528721 | 0.80 | GPR84 (0.41) | SLC6A4GPR84 | |
| SCHEMBL28524815 | 0.77 | DYRK1A (0.39) | SLC6A4KDM4E | |
| SCHEMBL28519958 | 0.77 | FFAR1 (0.41) | SLC6A4GPR84 | |
| SCHEMBL28527012 | 0.77 | HTR2A (0.40) | SLC6A3MAPTGAAKDM4EALDH1A1 | |
| SCHEMBL28519628 | 0.77 | CYP2D6 (0.42) | CYP2D6SLC6A2SLC6A4SLC6A3MAPT | |
| SCHEMBL1413413 | 0.76 | CYP2D6 (0.46) | CYP2D6SLC6A2SLC6A4SLC6A3MAPT | |
| SCHEMBL28519480 | 0.75 | HTR2A (0.42) | CYP2D6MAPTKDM4ENPC1RAB9A | |
| SCHEMBL22864444 | 0.75 | ATM (0.48) | CYP2D6SLC6A2SLC6A4SLC6A3MAPT | |
| SCHEMBL27816688 | 0.75 | KDM4E (0.40) | CYP2D6SLC6A2SLC6A4SLC6A3MAPT |
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-109912579-B | Preparation method of 2, 2-disubstituted tetrahydrofuran derivative | 华中科技大学 | 2021-01-08 | — | — | CN | disclosed |