Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | APAF1 | O14727 | 1/20 | 0.44 |
| ▸ | RGS12 | O14924 | 1/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | PARP10 | Q53GL7 | 2/20 | 0.42 |
| ▸ | PPARG | P37231 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.42 |
| ▸ | PARP4 | Q9UKK3 | 1/20 | 0.42 |
| ▸ | HSD17B3 | P37058 | 6/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 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 | |
|---|---|---|---|---|
| Acetophenone SCHEMBL27858856 | 0.83 | CES2 (0.55) | MEN1KMT2AHPGDPPARGPPARA | |
| Terephthalamide SCHEMBL8426214 | 0.82 | MEN1 (0.50) | SMN1; SMN2NPC1RAB9AMAPK1MEN1 | |
| Acetamide SCHEMBL28250274 | 0.80 | TSHR (0.58) | MAPK1ALDH1A1CA2MAPTTSHR | |
| SCHEMBL17518442 | 0.76 | KMT2A (0.59) | SMN1; SMN2NPC1RAB9AMEN1KMT2A | |
| Tetradecane SCHEMBL9312928 | 0.76 | MEN1 (0.67) | SMN1; SMN2NPC1RAB9AMAPK1MEN1 | |
| Hexadecanoic Acid Methyl Ester SCHEMBL27414259 | 0.76 | TSHR (0.64) | MAPK1ALDH1A1CA2MAPTTSHR | |
| Terephthalamide SCHEMBL17074059 | 0.76 | MEN1 (0.67) | SMN1; SMN2NPC1RAB9AMAPK1MEN1 | |
| Dodecane SCHEMBL9222476 | 0.76 | MEN1 (0.67) | SMN1; SMN2NPC1RAB9AMAPK1MEN1 | |
| SCHEMBL124681 | 0.76 | — | — | |
| SCHEMBL8661341 | 0.75 | PPARG (0.52) | MAPK1HPGDPPARGALDH1A1CA2 |
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-114075187-B | Carbonyl pyrazole antitumor compound as well as preparation method and application thereof | 山东大学 | 2023-05-12 | — | — | CN | disclosed |