Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VCAM1 | P19320 | 4/20 | 0.47 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.40 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.40 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.40 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.40 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.40 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.40 |
| ▸ | MTOR | P42345 | 1/20 | 0.36 |
| ▸ | PLK1 | P53350 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | TTR | P02766 | 1/20 | 0.35 |
| ▸ | ALB | P02768 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 5/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | CCR6 | P51684 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1344002 | 0.75 | VCAM1 (0.56) | VCAM1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL7886443 | 0.73 | VCAM1 (0.58) | VCAM1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL2085253 | 0.72 | VCAM1 (0.66) | VCAM1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL15408517 | 0.72 | VCAM1 (0.77) | VCAM1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL1735159 | 0.72 | MEN1 (0.60) | VCAM1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL11028874 | 0.72 | VCAM1 (0.51) | VCAM1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL1734088 | 0.72 | VCAM1 (0.51) | VCAM1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL11032813 | 0.70 | VCAM1 (0.40) | VCAM1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL22636866 | 0.69 | VCAM1 (0.56) | VCAM1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL4639178 | 0.69 | VCAM1 (0.66) | VCAM1GRIN2DGRIN3BGRIN1GRIN2A |
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-0092632-B1 | NEW BENZONITRILE DERIVATIVES, METHOD FOR THEIR PREPARATION AND HERBICIDAL COMPOSITIONS | CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) | 1985-09-04 | — | — | EP | disclosed |