Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2D | O15399 | 3/20 | 0.43 |
| ▸ | GRIN3B | O60391 | 3/20 | 0.43 |
| ▸ | GRIN1 | Q05586 | 3/20 | 0.43 |
| ▸ | GRIN2A | Q12879 | 3/20 | 0.43 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.43 |
| ▸ | GRIN2C | Q14957 | 3/20 | 0.43 |
| ▸ | GRIN3A | Q8TCU5 | 3/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.38 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.38 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.38 |
| ▸ | CRHBP | P24387 | 2/20 | 0.38 |
| ▸ | CRHR2 | Q13324 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4979589 | 0.76 | SIGMAR1 (0.71) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL5923056 | 0.76 | SMN1; SMN2 (0.45) | MAPK1ALDH1A1SMN1; SMN2LMNACHRNB2 | |
| SCHEMBL6518566 | 0.74 | CYP1A2 (0.56) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL6515597 | 0.73 | NOS3 (0.45) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL6515320 | 0.71 | SIGMAR1 (0.46) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL6510602 | 0.67 | MAPK1 (0.63) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL6513329 | 0.67 | MAPK1 (0.53) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL15938854 | 0.65 | RAC1 (0.67) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL6507381 | 0.64 | RAB9A (0.54) | MAPK1SMN1; SMN2LMNACHRNB2CHRNB4 | |
| SCHEMBL6508707 | 0.64 | KMT2A (0.60) | MAPK1ALDH1A1SMN1; SMN2LMNACHRNB2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005095345-A2 | HETEROARYL GUANIDINES AS INHIBITORS OF VIRAL REPLICATION | ACHILLION PHARMACEUTICALS, INC. (US) | 2005-10-13 | — | — | WO | claimed |