Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | FPR2 | P25090 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.30 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.30 |
| ▸ | TAS1R2 | Q8TE23 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL12413541 | 0.83 | ALDH1A1 (0.44) | TRPA1FPR2ALDH1A1SMN1; SMN2HPGD | |
| SCHEMBL13684409 | 0.83 | ALDH1A1 (0.44) | TRPA1FPR2ALDH1A1SMN1; SMN2HPGD | |
| SCHEMBL24850751 | 0.78 | ADAM17 (0.36) | TRPA1ALDH1A1SMN1; SMN2HPGDPOLB | |
| SCHEMBL22600649 | 0.78 | L3MBTL1 (0.37) | TRPA1ALDH1A1SMN1; SMN2HPGDPOLB | |
| SCHEMBL24263338 | 0.78 | L3MBTL1 (0.37) | TRPA1ALDH1A1SMN1; SMN2HPGDPOLB | |
| SCHEMBL13759903 | 0.78 | DPP4 (0.32) | TRPA1 | |
| SCHEMBL17664752 | 0.78 | DPP4 (0.32) | TRPA1 | |
| SCHEMBL18462937 | 0.77 | CTSS (0.33) | ALDH1A1SMN1; SMN2POLBMAPT | |
| SCHEMBL19319101 | 0.76 | CA12 (0.33) | ALDH1A1SMN1; SMN2HPGDMEN1KMT2A | |
| SCHEMBL19319099 | 0.76 | CA12 (0.33) | ALDH1A1SMN1; SMN2HPGDMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-7592419-B2 | Macrocyclic inhibitors of hepatitis C virus NS3-serine protease | SCHERING CORPORATION (US) | 2009-09-22 | — | — | US | disclosed |