Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 4/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.39 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL13606630 | 0.84 | CYP2C9 (0.51) | SMN1; SMN2ALDH1A1MAPTHTTMEN1 | |
| SCHEMBL18039473 | 0.82 | NPC1 (0.51) | SMN1; SMN2ALDH1A1MEN1KMT2AKDM4E | |
| SCHEMBL2560709 | 0.80 | SMN1; SMN2 (0.53) | SMN1; SMN2ALDH1A1MAPTHTTMEN1 | |
| SCHEMBL28192195 | 0.80 | SMN1; SMN2 (0.55) | SMN1; SMN2ALDH1A1MAPTHTTMEN1 | |
| SCHEMBL28191549 | 0.79 | SMN1; SMN2 (0.52) | SMN1; SMN2ALDH1A1MAPTHTTMEN1 | |
| SCHEMBL4486286 | 0.79 | SMN1; SMN2 (0.52) | SMN1; SMN2ALDH1A1MAPTHTTMEN1 | |
| SCHEMBL21071742 | 0.75 | SMN1; SMN2 (0.51) | SMN1; SMN2ALDH1A1MAPTHTTMEN1 | |
| SCHEMBL28191530 | 0.74 | SMN1; SMN2 (0.50) | SMN1; SMN2ALDH1A1MAPTHTTMEN1 | |
| SCHEMBL359785 | 0.74 | KMT2A (0.71) | SMN1; SMN2ALDH1A1MAPTHTTMEN1 | |
| SCHEMBL28854139 | 0.73 | SMN1; SMN2 (0.55) | SMN1; SMN2ALDH1A1MAPTHTTMEN1 |
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-107406427-A | Alkynyl alcohols and methods of use thereof | 豪夫迈·罗氏有限公司 | 2017-11-28 | — | — | CN | disclosed |