Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.34 |
| ▸ | P2RX3 | P56373 | 13/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.32 |
| ▸ | PLK1 | P53350 | 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 | |
|---|---|---|---|---|
| SCHEMBL7922191 | 0.69 | ADORA2A (0.30) | P2RX3ADORA2AADORA1 | |
| SCHEMBL7922225 | 0.65 | NR1H4 (0.39) | NR1H4 | |
| SCHEMBL17393757 | 0.63 | ACHE (0.47) | — | |
| SCHEMBL7913508 | 0.62 | ADORA2A (0.38) | ADORA2AADORA1PLK1 | |
| SCHEMBL20566162 | 0.61 | HTR2C (0.35) | — | |
| SCHEMBL7219943 | 0.59 | HDAC4 (0.36) | — | |
| SCHEMBL9849476 | 0.58 | TSHR (0.45) | — | |
| SCHEMBL12660084 | 0.57 | NPC1 (0.62) | NR1H4 | |
| SCHEMBL4075982 | 0.57 | HDAC4 (0.37) | NR1H4 | |
| SCHEMBL1281643 | 0.57 | NPC1 (0.64) | NR1H4PLK1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1001766-A4 | COMPOUNDS AND METHODS | SMITHKLINE BEECHAM CORP (US) | 2001-04-04 | — | — | EP | disclosed |
| EP-1001766-A1 | COMPOUNDS AND METHODS | SMITHKLINE BEECHAM CORPORATION (US) | 2000-05-24 | — | — | EP | disclosed |
| WO-1999001127-A1 | COMPOUNDS AND METHODS | SMITHKLINE BEECHAM CORPORATION (US) | 1999-01-14 | — | — | WO | disclosed |