Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.61 |
| ▸ | KCNJ5 | P48544 | 1/20 | 0.60 |
| ▸ | KCNJ3 | P48549 | 1/20 | 0.60 |
| ▸ | FADS1 | O60427 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 5/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | MAPT | P10636 | 4/20 | 0.50 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 3/20 | 0.49 |
| ▸ | RAB9A | P51151 | 3/20 | 0.49 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL28416637 | 1.00 | HDAC1 (0.61) | HDAC1KCNJ5KCNJ3FADS1MEN1 | |
| SCHEMBL28408707 | 0.85 | HDAC1 (0.59) | HDAC1MEN1KMT2AALDH1A1MAPT | |
| SCHEMBL28890878 | 0.85 | HDAC1 (0.56) | HDAC1MEN1KMT2AEPHX2LMNA | |
| SCHEMBL28411643 | 0.85 | ALDH1A1 (0.51) | HDAC1MEN1KMT2AALDH1A1HSD17B10 | |
| SCHEMBL30368350 | 0.85 | ALDH1A1 (0.51) | HDAC1MEN1KMT2AALDH1A1HSD17B10 | |
| SCHEMBL28414956 | 0.81 | NPC1 (0.55) | MEN1KMT2AALDH1A1MAPTNPC1 | |
| SCHEMBL30368406 | 0.81 | NPC1 (0.55) | MEN1KMT2AALDH1A1MAPTNPC1 | |
| SCHEMBL28411680 | 0.77 | HDAC1 (0.63) | HDAC1MEN1KMT2AALDH1A1MAPT | |
| SCHEMBL28408732 | 0.77 | HDAC1 (0.59) | HDAC1MEN1KMT2AALDH1A1MAPT | |
| SCHEMBL5162730 | 0.75 | KCNJ5 (0.61) | HDAC1KCNJ5KCNJ3FADS1MEN1 |
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-111303054-B | 3-acylamino-1, 3-quinazoline-2-ketone compound and preparation method and application thereof | 湖南科技大学 | 2023-04-07 | — | — | CN | disclosed |