Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 4/20 | 0.37 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.37 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.37 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.37 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.37 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CCR2 | P41597 | 1/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4062614 | 0.74 | CCR2 (0.38) | GRIN2BCHRM1ALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL4067819 | 0.74 | CCR2 (0.38) | GRIN2BCHRM1ALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL3904043 | 0.74 | ALDH1A1 (0.36) | ALDH1A1SMN1; SMN2CCR2 | |
| SCHEMBL14095714 | 0.73 | SMN1; SMN2 (0.33) | GRIN2BOPRM1ALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL4976100 | 0.73 | NR1H2 (0.46) | CHRM2CHRM1CHRM3 | |
| SCHEMBL4068506 | 0.73 | NR1H2 (0.46) | CHRM2CHRM1CHRM3 | |
| SCHEMBL5343015 | 0.73 | ALDH1A1 (0.39) | KCNH2ALDH1A1MAPTTP53CCR2 | |
| SCHEMBL13655732 | 0.71 | SMN1; SMN2 (0.32) | GRIN2BSMN1; SMN2MAPTCCR2 | |
| SCHEMBL10550957 | 0.70 | GRIN2D (0.36) | GRIN2BGRIN2DGRIN3BCHRM2CHRM1 | |
| SCHEMBL25706163 | 0.69 | GAA (0.32) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1515724-A4 | MITOTIC KINESIN INHIBITORS | MERCK & CO INC (US) | 2005-08-17 | — | — | EP | disclosed |
| EP-1515724-A1 | MITOTIC KINESIN INHIBITORS | Merck & Co., Inc. (US) | 2005-03-23 | — | — | EP | disclosed |
| WO-2003105855-A1 | MITOTIC KINESIN INHIBITORS | MERCK & CO., INC. (US) | 2003-12-24 | — | — | WO | disclosed |