Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 4/20 | 0.35 |
| ▸ | HPGD | P15428 | 4/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 6/20 | 0.33 |
| ▸ | RAB9A | P51151 | 6/20 | 0.33 |
| ▸ | KDM1A | O60341 | 1/20 | 0.33 |
| ▸ | MAPK10 | P53779 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 3/20 | 0.32 |
| ▸ | PKM | P14618 | 2/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | NFKB2 | Q00653 | 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 | |
|---|---|---|---|---|
| SCHEMBL28511342 | 0.88 | MAPT (0.34) | ALDH1A1MAPTHPGDKDM4ERAB9A | |
| SCHEMBL28528237 | 0.88 | TSHR (0.38) | ALDH1A1MAPTHPGDKDM4EMEN1 | |
| SCHEMBL28518305 | 0.83 | TAAR1 (0.40) | ALDH1A1CYP1A2MAPTHPGDKDM4E | |
| SCHEMBL28512480 | 0.80 | KDM1A (0.34) | ALDH1A1CYP1A2MAPTHPGDKDM4E | |
| SCHEMBL28519216 | 0.77 | MEN1 (0.37) | ALDH1A1CYP1A2MAPTHPGDKDM4E | |
| SCHEMBL28520004 | 0.76 | MAPT (0.46) | ALDH1A1MAPTKDM4ENPC1RAB9A | |
| SCHEMBL28515265 | 0.74 | KMT2A (0.41) | ALDH1A1CYP1A2MAPTHPGDKDM4E | |
| SCHEMBL4053458 | 0.71 | TSHR (0.41) | ALDH1A1MAPTHPGDKDM4ENPC1 | |
| SCHEMBL28910372 | 0.68 | ALDH1A1 (0.37) | ALDH1A1CYP1A2MAPTRAB9AMAPK10 | |
| SCHEMBL30108082 | 0.68 | ALDH1A1 (0.37) | ALDH1A1CYP1A2MAPTRAB9AMAPK10 |
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-112225733-B | Preparation method of 1,3, 4-thiadiazole pyridine-2-ketone derivative and application of derivative as anti-cancer drug | 湖南科技大学 | 2022-12-09 | — | — | CN | disclosed |
| 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 |