Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 4/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | MAPK10 | P53779 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.33 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.32 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.32 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.32 |
| ▸ | PTGES | O14684 | 1/20 | 0.31 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.31 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 2/20 | 0.31 |
| ▸ | RXFP1 | Q9HBX9 | 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 | |
|---|---|---|---|---|
| SCHEMBL28518305 | 0.87 | TAAR1 (0.40) | MAPTGAAALDH1A1MEN1KMT2A | |
| SCHEMBL28515265 | 0.85 | KMT2A (0.41) | MAPTGAAALDH1A1MEN1KMT2A | |
| SCHEMBL28519216 | 0.81 | MEN1 (0.37) | MAPTGAAALDH1A1MEN1KMT2A | |
| SCHEMBL28533467 | 0.80 | ALDH1A1 (0.36) | KDM1AMAPTGAAMAPK10ALDH1A1 | |
| SCHEMBL28511342 | 0.75 | MAPT (0.34) | MAPTGAAMAPK10ALDH1A1MEN1 | |
| SCHEMBL28528237 | 0.75 | TSHR (0.38) | MAPTALDH1A1MEN1KMT2AKDM4E | |
| SCHEMBL4058567 | 0.73 | KMT2A (0.41) | MAPTGAAMAPK10ALDH1A1MEN1 | |
| SCHEMBL28512911 | 0.64 | RAB9A (0.45) | MAPTGAAMAPK10ALDH1A1MEN1 | |
| SCHEMBL28515267 | 0.62 | TAAR1 (0.41) | MAPTGAAALDH1A1MEN1KMT2A | |
| SCHEMBL16507074 | 0.60 | AKT1 (0.47) | KDM1AALDH1A1MEN1KMT2A |
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-112225733-A | Preparation method of derivative containing 1,3, 4-thiadiazole pyridine-2-ketone and application of derivative as anti-cancer drug | 湖南科技大学 | 2021-01-15 | — | — | CN | disclosed |