Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.67 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.67 |
| ▸ | GLA | P06280 | 1/20 | 0.67 |
| ▸ | GAA | P10253 | 1/20 | 0.67 |
| ▸ | MEN1 | O00255 | 4/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.59 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.59 |
| ▸ | MAPT | P10636 | 2/20 | 0.59 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.59 |
| ▸ | KDM6B | O15054 | 1/20 | 0.59 |
| ▸ | KDM4A | O75164 | 1/20 | 0.59 |
| ▸ | THRB | P10828 | 1/20 | 0.59 |
| ▸ | KDM4D | Q6B0I6 | 1/20 | 0.59 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.59 |
| ▸ | SIRT3 | Q9NTG7 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 7/20 | 0.38 |
| ▸ | NPC1 | O15118 | 4/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29464551 | 0.80 | ALDH1A1 (1.00) | ALDH1A1KDM4EGLAGAAMEN1 | |
| SCHEMBL535568 | 0.80 | ALDH1A1 (1.00) | ALDH1A1KDM4EGLAGAAMEN1 | |
| SCHEMBL5768957 | 0.80 | ALDH1A1 (0.69) | ALDH1A1KDM4EGLAGAAMEN1 | |
| SCHEMBL2139056 | 0.79 | KDM4E (0.70) | ALDH1A1KDM4EGLAGAAMEN1 | |
| SCHEMBL28904581 | 0.79 | KMT2A (0.46) | ALDH1A1KDM4EGLAGAAMEN1 | |
| SCHEMBL28552197 | 0.79 | RAB9A (0.48) | ALDH1A1KDM4EGLAGAAMEN1 | |
| SCHEMBL1643711 | 0.77 | KDM4C (0.73) | ALDH1A1KDM4EGLAGAAMEN1 | |
| Nitrous Acid SCHEMBL29105410 | 0.76 | KDM4C (0.85) | ALDH1A1KDM4EGLAGAAMEN1 | |
| SCHEMBL1841640 | 0.76 | ALDH1A1 (0.68) | ALDH1A1KDM4EGLAGAAMEN1 | |
| SCHEMBL31487718 | 0.76 | ALDH1A1 (0.68) | ALDH1A1KDM4EGLAGAAMEN1 |
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-115650909-A | Synthetic method of 3-amino isonicotinic nitrile | 山西永津集团有限公司 | 2023-01-31 | — | — | CN | disclosed |