Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.96 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.65 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.57 |
| ▸ | APP | P05067 | 1/20 | 0.57 |
| ▸ | GAA | P10253 | 1/20 | 0.57 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.57 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.57 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.56 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.55 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.55 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.55 |
| ▸ | F7 | P08709 | 1/20 | 0.55 |
| ▸ | F3 | P13726 | 1/20 | 0.55 |
| ▸ | SARM1 | Q6SZW1 | 1/20 | 0.55 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.55 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.55 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| Methyl Nicotinate SCHEMBL24566 | 0.98 | ALDH1A1 (1.00) | ALDH1A1KMT2AHSD17B10L3MBTL1APP | |
| Methyl Nicotinate SCHEMBL29386553 | 0.98 | ALDH1A1 (1.00) | ALDH1A1KMT2AHSD17B10L3MBTL1APP | |
| Methyl Nicotinate SCHEMBL820747 | 0.98 | ALDH1A1 (1.00) | ALDH1A1KMT2AHSD17B10L3MBTL1APP | |
| Methyl Nicotinate SCHEMBL28370871 | 0.96 | ALDH1A1 (0.96) | ALDH1A1KMT2AHSD17B10L3MBTL1APP | |
| Methyl Nicotinate SCHEMBL30541951 | 0.96 | ALDH1A1 (0.96) | ALDH1A1KMT2AHSD17B10L3MBTL1APP | |
| Methyl Nicotinate SCHEMBL11491005 | 0.96 | ALDH1A1 (0.96) | ALDH1A1KMT2AHSD17B10L3MBTL1APP | |
| Methyl Nicotinate SCHEMBL30779127 | 0.96 | ALDH1A1 (0.96) | ALDH1A1KMT2AHSD17B10L3MBTL1APP | |
| Methyl Nicotinate SCHEMBL30791985 | 0.96 | ALDH1A1 (0.96) | ALDH1A1KMT2AHSD17B10L3MBTL1APP | |
| Methyl Nicotinate SCHEMBL29527047 | 0.96 | ALDH1A1 (0.96) | ALDH1A1KMT2AHSD17B10L3MBTL1APP | |
| Methyl Nicotinate SCHEMBL3086138 | 0.96 | ALDH1A1 (0.96) | ALDH1A1KMT2AHSD17B10L3MBTL1APP |
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-111225665-B | Macrocyclic immunomodulators | 凯莫森特里克斯股份有限公司 | 2023-12-08 | — | — | CN | disclosed |