Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 17/20 | 0.41 |
| ▸ | TRPV1 | Q8NER1 | 3/20 | 0.38 |
| ▸ | GMNN | O75496 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | TMIGD3 | P0DMS9 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7678789 | 0.69 | ADORA3 (0.39) | ADORA3TRPV1 | |
| SCHEMBL7685039 | 0.62 | ADORA3 (0.78) | ADORA3TRPV1GMNNCYP1A2CYP3A4 | |
| SCHEMBL7461390 | 0.57 | ADORA3 (0.74) | ADORA3GMNNCYP1A2CYP3A4TMIGD3 | |
| SCHEMBL1641518 | 0.57 | HDAC3 (0.55) | CYP3A4TSHRMAPK1MEN1KMT2A | |
| SCHEMBL29742701 | 0.55 | TSHR (0.45) | ADORA3CYP3A4TSHRMAPK1 | |
| SCHEMBL10174705 | 0.53 | ADORA3 (0.41) | ADORA3GMNNCYP1A2CYP3A4TMIGD3 | |
| SCHEMBL4576444 | 0.53 | L3MBTL1 (0.66) | TSHR | |
| Bicarbonate SCHEMBL27643185 | 0.52 | FFAR1 (0.62) | TSHRMEN1GAAKMT2A | |
| Biphenyl SCHEMBL17473044 | 0.52 | THRA (0.48) | NPSR1 | |
| SCHEMBL19543224 | 0.52 | ALDH1A1 (0.55) | MAPK1KMT2A |
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-6376521-B1 | ANTIINFLAMMATORY AGENTS; ANTIISCHEMIC AGENTS; CENTRAL NERVOUS SYSTEM DISORDERS | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES | 2002-04-23 | — | — | US | disclosed |