Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 6/20 | 0.43 |
| ▸ | CA2 | P00918 | 8/20 | 0.43 |
| ▸ | CA5A | P35218 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 7/20 | 0.41 |
| ▸ | CA9 | Q16790 | 5/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CA3 | P07451 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | CA6 | P23280 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7526079 | 0.87 | CA2 (0.53) | CA12CA2CA5AALDH1A1HIF1A | |
| SCHEMBL29258676 | 0.86 | CA2 (0.45) | CA12CA2CA5AALDH1A1HIF1A | |
| SCHEMBL18731554 | 0.80 | CA2 (0.46) | CA12CA2CA5AALDH1A1HIF1A | |
| SCHEMBL4664484 | 0.79 | LMNA (0.46) | CA12CA2CA5ACYP2C9CA1 | |
| SCHEMBL2121746 | 0.78 | CA2 (0.53) | CA12CA2CA5AALDH1A1HIF1A | |
| SCHEMBL28363781 | 0.76 | CA2 (0.47) | CA12CA2CA5AALDH1A1HIF1A | |
| SCHEMBL6275260 | 0.76 | CA2 (0.47) | CA12CA2CA5AALDH1A1HIF1A | |
| SCHEMBL3121543 | 0.75 | ALDH1A1 (0.55) | NPC1CA12CA2CA5AALDH1A1 | |
| SCHEMBL4661774 | 0.74 | CA2 (0.57) | CA12CA2CA5AALDH1A1CYP1A2 | |
| SCHEMBL4661598 | 0.74 | CA2 (0.51) | CA12CA2CA5AALDH1A1HIF1A |
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-118108664-A | NAMPT agonist and preparation method and application thereof | 中国人民解放军海军军医大学 | 2024-05-31 | — | — | CN | disclosed |