Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.73 |
| ▸ | MAPT | P10636 | 3/20 | 0.73 |
| ▸ | LMNA | P02545 | 1/20 | 0.73 |
| ▸ | NPC1 | O15118 | 3/20 | 0.59 |
| ▸ | RAB9A | P51151 | 3/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.57 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.57 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.57 |
| ▸ | SLC6A9 | P48067 | 4/20 | 0.55 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 4/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.53 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.53 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL23014282 | 1.00 | ALDH1A1 (0.73) | ALDH1A1MAPTLMNANPC1RAB9A | |
| SCHEMBL3231208 | 0.89 | ALDH1A1 (0.68) | ALDH1A1MAPTLMNANPC1RAB9A | |
| Methane SCHEMBL11380092 | 0.87 | ALDH1A1 (0.66) | ALDH1A1MAPTLMNANPC1RAB9A | |
| SCHEMBL23014277 | 0.85 | SLC6A9 (0.58) | ALDH1A1MAPTLMNACYP1A2KDM4E | |
| SCHEMBL23014298 | 0.84 | RAB9A (0.61) | ALDH1A1MAPTLMNANPC1RAB9A | |
| SCHEMBL23014264 | 0.83 | PTPN1 (0.57) | ALDH1A1MAPTLMNANPC1RAB9A | |
| SCHEMBL28483353 | 0.83 | ALDH1A1 (0.73) | ALDH1A1MAPTLMNANPC1RAB9A | |
| SCHEMBL23014479 | 0.83 | KMT2A (0.73) | ALDH1A1MAPTLMNANPC1RAB9A | |
| SCHEMBL23014381 | 0.82 | ALDH1A1 (0.52) | ALDH1A1MAPTLMNANPC1RAB9A | |
| SCHEMBL15973607 | 0.82 | MAPT (0.58) | ALDH1A1MAPTLMNANPC1RAB9A |
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-111960961-B | Synthetic method of alpha-amidoketone compound | 河南师范大学 | 2021-11-09 | — | — | CN | disclosed |
| CN-111960961-A | Synthetic method of alpha-amidoketone compound | 河南师范大学 | 2020-11-20 | — | — | CN | disclosed |