Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2D | O15399 | 4/20 | 0.43 |
| ▸ | GRIN3B | O60391 | 4/20 | 0.43 |
| ▸ | GRIN1 | Q05586 | 4/20 | 0.43 |
| ▸ | GRIN2A | Q12879 | 4/20 | 0.43 |
| ▸ | GRIN2B | Q13224 | 4/20 | 0.43 |
| ▸ | GRIN2C | Q14957 | 4/20 | 0.43 |
| ▸ | GRIN3A | Q8TCU5 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | NOS3 | P29474 | 2/20 | 0.33 |
| ▸ | NOS1 | P29475 | 2/20 | 0.33 |
| ▸ | NOS2 | P35228 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL11163147 | 0.82 | GRIN2D (0.41) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL5709545 | 0.71 | NOS2 (0.50) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL28011623 | 0.67 | ALDH1A1 (0.33) | ALDH1A1 | |
| SCHEMBL991552 | 0.65 | MEN1 (0.36) | ALDH1A1NOS2 | |
| SCHEMBL991141 | 0.65 | MEN1 (0.36) | ALDH1A1NOS2 | |
| SCHEMBL6049287 | 0.64 | GRIN2B (0.55) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL11042099 | 0.63 | GRIN2D (0.39) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL15944875 | 0.63 | NOS2 (0.47) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL452691 | 0.62 | ALDH1A1 (0.38) | ALDH1A1 | |
| SCHEMBL16716207 | 0.62 | ALDH1A1 (0.38) | ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0053368-B1 | NOVEL TRIAMINE DERIVATIVES AND THEIR USE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1984-06-20 | — | — | EP | disclosed |