Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 1/20 | 0.49 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.48 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.48 |
| ▸ | ESR1 | P03372 | 3/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.47 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.46 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.46 |
| ▸ | MCHR1 | Q99705 | 5/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2688417 | 0.83 | KEAP1 (0.51) | LTA4HADORA2AADORA1CHRNB2CHRNA4 | |
| SCHEMBL6808019 | 0.82 | LTA4H (0.49) | LTA4HADORA2AADORA1ESR1ESR2 | |
| Hydrochloric Acid SCHEMBL15994620 | 0.81 | KEAP1 (0.50) | LTA4HADORA2AADORA1CHRNB2CHRNA4 | |
| SCHEMBL16003215 | 0.80 | KEAP1 (0.38) | CHRNB2CHRNA4KCNH2 | |
| SCHEMBL31552396 | 0.80 | ALDH1A1 (0.48) | — | |
| SCHEMBL20374566 | 0.78 | KDM4E (0.53) | — | |
| SCHEMBL11711717 | 0.78 | LTA4H (0.51) | LTA4HADORA2AADORA1ESR1ESR2 | |
| SCHEMBL6802602 | 0.77 | LTA4H (0.61) | LTA4HADORA2AADORA1ESR1ESR2 | |
| SCHEMBL28767196 | 0.77 | MAPT (0.51) | LTA4H | |
| SCHEMBL18361759 | 0.77 | TSHR (0.49) | LTA4H |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1001766-B1 | COMPOUNDS FOR THE TREATMENT OF CCR5-MEDIATED DISEASES | SMITHKLINE BEECHAM CORP (US) | 2003-04-09 | — | — | EP | disclosed |
| US-6515027-B1 | Ligands, agonists or antagonists, of the CC chemokine receptor CC-CKR5 | SMITHKLINE BEECHAM CORP. | 2003-02-04 | — | — | US | disclosed |
| 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 |