Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 4/20 | 0.39 |
| ▸ | GRIN1 | Q05586 | 6/20 | 0.38 |
| ▸ | GRIN2A | Q12879 | 6/20 | 0.38 |
| ▸ | GRIN2D | O15399 | 5/20 | 0.38 |
| ▸ | GRIN2C | Q14957 | 5/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 4/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.37 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.37 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.37 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.37 |
| ▸ | DRD4 | P21917 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.37 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.37 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.37 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.37 |
| ▸ | MRGPRX2 | Q96LB1 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6552905 | 0.76 | KIF11 (0.38) | KIF11GRIN1GRIN2AGRIN2DGRIN2C | |
| SCHEMBL7632637 | 0.75 | TRPA1 (0.48) | KCNH2OPRK1CYP2D6CYP1A2 | |
| SCHEMBL8816057 | 0.74 | GRIN1 (0.47) | KIF11GRIN1GRIN2AGRIN2DGRIN2C | |
| SCHEMBL4459727 | 0.69 | KIF11 (0.44) | KIF11OPRM1KCNH2CYP2D6 | |
| SCHEMBL4454998 | 0.68 | KIF11 (0.38) | KIF11KCNH2ALDH1A1CYP2C19ALOX15 | |
| SCHEMBL28837033 | 0.68 | GRIN1 (0.46) | KIF11GRIN1GRIN2AGRIN2DGRIN2C | |
| SCHEMBL8409614 | 0.68 | ESR2 (0.53) | KIF11GRIN1GRIN2AGRIN2DGRIN2C | |
| SCHEMBL18544226 | 0.67 | CYP2D6 (0.41) | KIF11ALDH1A1CYP2D6CYP2C19HSD17B10 | |
| SCHEMBL9494144 | 0.67 | CYP2D6 (0.41) | KIF11ALDH1A1CYP2D6CYP2C19HSD17B10 | |
| SCHEMBL7169571 | 0.66 | LMNA (0.51) | CYP2D6CYP2C19HSD17B10 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7612148-B2 | Hydrogenation catalyst composition and method for hydrogenation of conjugated diene polymer | TSRC CORPORATION (TW) | 2009-11-03 | — | — | US | disclosed |
| US-20080146733-A1 | Hydrogenation catalyst composition and method for hydrogenation of conjugated diene polymer | TSRC CORPORATION (TW) | 2008-06-19 | — | — | US | disclosed |