Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 4/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.56 |
| ▸ | RAB9A | P51151 | 3/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.56 |
| ▸ | NPC1 | O15118 | 2/20 | 0.56 |
| ▸ | JUN | P05412 | 1/20 | 0.56 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.56 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.56 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.53 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.53 |
| ▸ | F7 | P08709 | 1/20 | 0.52 |
| ▸ | F3 | P13726 | 1/20 | 0.52 |
| ▸ | SARM1 | Q6SZW1 | 1/20 | 0.52 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.52 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.52 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.52 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.52 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.52 |
| ▸ | SIRT4 | Q9Y6E7 | 1/20 | 0.52 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Nicotinaldehyde SCHEMBL28383849 | 0.92 | MAPT (0.56) | MAPTKDM4ERAB9AMAPK1NPC1 | |
| Nicotinaldehyde SCHEMBL9008649 | 0.90 | MAPT (0.55) | MAPTKDM4ERAB9AMAPK1NPC1 | |
| Nicotinaldehyde SCHEMBL9005450 | 0.90 | MAPT (0.55) | MAPTKDM4ERAB9AMAPK1NPC1 | |
| Nicotinaldehyde SCHEMBL27910267 | 0.90 | ALDH1A1 (0.54) | MAPTKDM4ERAB9AMAPK1NPC1 | |
| Nicotinaldehyde SCHEMBL55950 | 0.89 | — | — | |
| Nicotinaldehyde SCHEMBL28069499 | 0.89 | ALDH1A1 (0.58) | MAPTKDM4ERAB9AMAPK1NPC1 | |
| Nicotinaldehyde SCHEMBL29364000 | 0.89 | — | — | |
| Nicotinaldehyde SCHEMBL8213880 | 0.89 | TBXAS1 (0.50) | MAPTKDM4ERAB9AMAPK1NPC1 | |
| Nicotinaldehyde SCHEMBL28267384 | 0.88 | CYP11B2 (0.57) | MAPTKDM4ERAB9AMAPK1NPC1 | |
| Nicotinaldehyde SCHEMBL28878490 | 0.88 | ALDH1A1 (0.52) | MAPTKDM4ERAB9AMAPK1NPC1 |
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-109715634-A | FUSED BICYCLIC INHIBITORS OF MENIN-MLL INTERACTION | 詹森药业有限公司 | 2019-05-03 | — | — | CN | disclosed |