Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNF | P01375 | 5/20 | 0.82 |
| ▸ | PDE4A | P27815 | 7/20 | 0.65 |
| ▸ | PDE4B | Q07343 | 7/20 | 0.65 |
| ▸ | PDE4C | Q08493 | 7/20 | 0.65 |
| ▸ | PDE4D | Q08499 | 7/20 | 0.65 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.65 |
| ▸ | ADORA2B | P29275 | 7/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | BLM | P54132 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | ACHE | P22303 | 2/20 | 0.51 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.51 |
| ▸ | CNR1 | P21554 | 1/20 | 0.51 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.51 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.51 |
| ▸ | MC3R | P41968 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL5424162 | 0.83 | TNF (1.00) | TNFPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL6384593 | 0.82 | TNF (1.00) | TNFPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL17682312 | 0.82 | TNF (1.00) | TNFPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL6190255 | 0.80 | TNF (0.76) | TNFPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL21381247 | 0.80 | PDE4A (1.00) | PDE4APDE4BPDE4CPDE4DADORA2A | |
| SCHEMBL17626126 | 0.79 | ADORA2B (0.65) | TNFPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL8861588 | 0.78 | PDE4A (0.75) | PDE4APDE4BPDE4CPDE4DADORA2A | |
| SCHEMBL9765651 | 0.78 | PDE4A (0.74) | TNFPDE4APDE4BPDE4CPDE4D | |
| Caffeine SCHEMBL28002404 | 0.78 | ADORA2B (0.68) | TNFPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL16697212 | 0.78 | ADORA2A (0.79) | PDE4APDE4BPDE4CPDE4DADORA2A |
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-5620676-A | ADENOSINE TRIPHOSPHATE DERIVATIVES; TREATMENT OF SEPTIC SHOCK OR BRAIN SEIZURES, LEARNING ENHANCEMENT | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1997-04-15 | — | — | US | disclosed |