Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VCAM1 | P19320 | 3/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.50 |
| ▸ | LMNA | P02545 | 5/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.50 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | XDH | P47989 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.41 |
| ▸ | BCL6 | P41182 | 1/20 | 0.40 |
| ▸ | BCOR | Q6W2J9 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL361867 | 0.98 | VCAM1 (0.59) | VCAM1ALDH1A1LMNAHIF1ATRPV4 | |
| SCHEMBL25837938 | 0.98 | VCAM1 (0.59) | VCAM1ALDH1A1LMNAHIF1ATRPV4 | |
| SCHEMBL594390 | 0.84 | VCAM1 (0.64) | VCAM1ALDH1A1LMNAHIF1ATSHR | |
| Fluoride SCHEMBL28259583 | 0.83 | VCAM1 (0.68) | VCAM1ALDH1A1LMNATSHRGAA | |
| SCHEMBL6153777 | 0.81 | ALOX12 (0.50) | VCAM1ALDH1A1LMNATRPV4SMN1; SMN2 | |
| SCHEMBL73860 | 0.81 | VCAM1 (0.70) | VCAM1ALDH1A1LMNATSHRGAA | |
| SCHEMBL27621933 | 0.78 | ALDH1A1 (0.58) | VCAM1ALDH1A1LMNAHIF1ATSHR | |
| SCHEMBL82629 | 0.78 | VCAM1 (0.66) | VCAM1ALDH1A1LMNAHIF1ATSHR | |
| SCHEMBL2649443 | 0.77 | VCAM1 (0.48) | VCAM1ALDH1A1LMNAHIF1AGAA | |
| SCHEMBL505035 | 0.76 | VCAM1 (0.55) | VCAM1ALDH1A1LMNAHIF1ATSHR |
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-109415301-B | Diamine compound and method for producing same | 株式会社LG化学 | 2021-08-17 | — | — | CN | disclosed |