Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 2/20 | 0.56 |
| ▸ | ACE | P12821 | 2/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.45 |
| ▸ | MAOA | P21397 | 1/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.45 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.45 |
| ▸ | MME | P08473 | 1/20 | 0.44 |
| ▸ | CPA1 | P15085 | 1/20 | 0.44 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.44 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.42 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.42 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.42 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL17169777 | 0.83 | ACE (0.71) | TRPA1ACEMMECPA1ACE2 | |
| SCHEMBL9131931 | 0.82 | TRPA1 (0.55) | TRPA1ACECYP2D6TAAR1SIGMAR1 | |
| SCHEMBL19919926 | 0.80 | TRPA1 (0.51) | TRPA1ACECYP2D6TAAR1SIGMAR1 | |
| SCHEMBL12477240 | 0.80 | ACE (0.59) | TRPA1ACECYP2D6TAAR1SIGMAR1 | |
| SCHEMBL9131198 | 0.80 | FDPS (0.46) | TRPA1 | |
| SCHEMBL1406203 | 0.77 | TRPA1 (0.67) | TRPA1ACECYP2D6TAAR1SIGMAR1 | |
| SCHEMBL8622111 | 0.76 | TRPA1 (0.71) | TRPA1ACECYP2D6TAAR1SIGMAR1 | |
| SCHEMBL9131811 | 0.75 | TRPA1 (0.59) | TRPA1ACECYP2D6TAAR1SIGMAR1 | |
| SCHEMBL9132541 | 0.74 | FDPS (0.45) | CYP2D6SLC6A2 | |
| SCHEMBL107180 | 0.73 | TRPA1 (0.67) | TRPA1ACECYP2D6TAAR1SIGMAR1 |
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-5430155-A | Viricides, treatment of AIDS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-07-04 | — | — | US | disclosed |
| US-5294720-A | Viricides | THE DUPONT MERCK PHARMACEUTICAL CO. (US) | 1994-03-15 | — | — | US | disclosed |