Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.56 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.56 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.47 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.43 |
| ▸ | HSD11B1 | P28845 | 5/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | TACR1 | P25103 | 1/20 | 0.41 |
| ▸ | FLT4 | P35916 | 1/20 | 0.41 |
| ▸ | KDR | P35968 | 1/20 | 0.41 |
| ▸ | NAMPT | P43490 | 1/20 | 0.40 |
| ▸ | JAK3 | P52333 | 1/20 | 0.40 |
| ▸ | HTR6 | P50406 | 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 | |
|---|---|---|---|---|
| SCHEMBL476403 | 0.87 | OPRM1 (0.58) | OPRM1OPRL1HSD11B1HDAC1TACR1 | |
| Hydrochloric Acid SCHEMBL1990667 | 0.85 | OPRM1 (0.56) | OPRM1OPRL1HSD11B1HDAC1TACR1 | |
| Trifluoroacetic Acid SCHEMBL16413809 | 0.78 | OPRM1 (0.50) | OPRM1OPRL1HSD11B1HDAC1TACR1 | |
| SCHEMBL9400647 | 0.75 | SLC18A3 (0.77) | SIGMAR1SLC18A3NAMPTJAK3HTR6 | |
| SCHEMBL2722547 | 0.75 | AKR1C1 (0.57) | OPRM1OPRL1HSD11B1HDAC1 | |
| SCHEMBL501923 | 0.75 | AKR1C1 (0.57) | OPRM1OPRL1HSD11B1HDAC1 | |
| Benzene SCHEMBL28128069 | 0.74 | SLC18A3 (1.00) | SIGMAR1SLC18A3HTR6 | |
| SCHEMBL4574 | 0.74 | SLC18A3 (1.00) | SIGMAR1SLC18A3HTR6 | |
| Butanedione SCHEMBL16136715 | 0.74 | SLC18A3 (0.74) | SIGMAR1SLC18A3NAMPTJAK3HTR6 | |
| SCHEMBL373567 | 0.73 | AKR1C1 (0.68) | OPRM1HSD11B1HDAC1TACR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1456200-A1 | LACTAMS AS TACHYKININ ANTAGONISTS | Pfizer Limited (GB) | 2004-09-15 | — | — | EP | disclosed |
| WO-2003051868-A1 | LACTAMS AS TACHYKININ ANTAGONISTS | PFIZER LIMITED (GB) | 2003-06-26 | — | — | WO | disclosed |