Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.65 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.58 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | CA2 | P00918 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.41 |
| ▸ | GAB1 | Q13480 | 1/20 | 0.41 |
| ▸ | UTS2R | Q9UKP6 | 3/20 | 0.39 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL246112 | 0.86 | CYP2A6 (0.69) | CYP2A6KEAP1NFE2L2SMN1; SMN2CA2 | |
| SCHEMBL5469050 | 0.83 | CYP2A6 (0.65) | CYP2A6KEAP1NFE2L2SMN1; SMN2CA2 | |
| SCHEMBL5543498 | 0.83 | CYP2A6 (0.65) | CYP2A6KEAP1NFE2L2SMN1; SMN2CA2 | |
| SCHEMBL9883963 | 0.83 | CYP2A6 (0.65) | CYP2A6KEAP1NFE2L2SMN1; SMN2CA2 | |
| SCHEMBL5476556 | 0.83 | CYP2A6 (0.65) | CYP2A6KEAP1NFE2L2SMN1; SMN2CA2 | |
| SCHEMBL4324624 | 0.83 | CYP2A6 (0.75) | CYP2A6KEAP1NFE2L2SMN1; SMN2CA2 | |
| SCHEMBL31588788 | 0.81 | CYP2A6 (0.67) | CYP2A6KEAP1NFE2L2CA2MAPT | |
| SCHEMBL4418009 | 0.80 | CYP2A6 (0.71) | CYP2A6KEAP1NFE2L2SMN1; SMN2CA2 | |
| SCHEMBL8435709 | 0.80 | CYP2A6 (0.61) | CYP2A6KEAP1NFE2L2SMN1; SMN2CA2 | |
| SCHEMBL5542371 | 0.80 | CYP2A6 (0.61) | CYP2A6KEAP1NFE2L2SMN1; SMN2CA2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-100506831-C | Phosphonic acid compounds as inhibitors of serine proteases | ORTHO MCNEIL PHARM INC (US) | 2009-07-01 | — | — | CN | disclosed |
| CN-1604904-A | Phosphonic acid compounds as serine protease inhibitors | ORTHO MCNEIL PHARM INC (US) | 2005-04-06 | — | — | CN | disclosed |