Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 19/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.46 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7870308 | 1.00 | TACR1 (0.49) | TACR1CYP2D6HCRTR2KCNH2 | |
| SCHEMBL7864432 | 0.90 | TACR1 (0.58) | TACR1CYP2D6KCNH2 | |
| SCHEMBL6604763 | 0.86 | TACR1 (0.65) | TACR1HCRTR2 | |
| SCHEMBL7032818 | 0.86 | TACR1 (0.65) | TACR1HCRTR2 | |
| SCHEMBL8708427 | 0.85 | TACR1 (0.51) | TACR1CYP2D6KCNH2 | |
| SCHEMBL7133654 | 0.85 | TACR1 (0.60) | TACR1CYP2D6KCNH2 | |
| SCHEMBL7135463 | 0.85 | TACR1 (0.51) | TACR1CYP2D6KCNH2 | |
| SCHEMBL7137909 | 0.85 | TACR1 (0.51) | TACR1CYP2D6KCNH2 | |
| SCHEMBL7867202 | 0.85 | TACR1 (0.60) | TACR1CYP2D6KCNH2 | |
| SCHEMBL7133070 | 0.85 | CYP2D6 (0.59) | TACR1CYP2D6KCNH2 |
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-6506775-B1 | Treatment of a gastrointestinal disorder; a central nervous system (CNS) adverse conditions caused by Heliobacter pylori; or angiogenesis especially CNS disorders in a mammalian subject, especially humans. | PFIZER INC | 2003-01-14 | — | — | US | disclosed |