Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCHR1 | Q99705 | 12/20 | 0.64 |
| ▸ | KDR | P35968 | 5/20 | 0.58 |
| ▸ | HTR2C | P28335 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | SETD7 | Q8WTS6 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL6923947 | 0.89 | MCHR1 (0.66) | MCHR1KDRHTR2CCYP1A2POLB | |
| SCHEMBL6923988 | 0.89 | MCHR1 (0.71) | MCHR1KDRHTR2CALDH1A1 | |
| SCHEMBL6603858 | 0.87 | MCHR1 (0.71) | MCHR1HTR2C | |
| SCHEMBL6893838 | 0.85 | MCHR1 (0.72) | MCHR1KDRHTR2C | |
| SCHEMBL6922563 | 0.84 | KDR (0.72) | MCHR1KDRALDH1A1 | |
| SCHEMBL6926140 | 0.83 | MCHR1 (0.72) | MCHR1KDRHTR2CCYP1A2POLB | |
| SCHEMBL6925696 | 0.83 | THRB (0.62) | KDRALDH1A1 | |
| SCHEMBL6610208 | 0.83 | MCHR1 (0.63) | MCHR1KDRALDH1A1 | |
| SCHEMBL14964397 | 0.83 | MCHR1 (0.64) | MCHR1KDRCYP1A2POLBCYP3A4 | |
| SCHEMBL6925692 | 0.82 | MCHR1 (0.92) | MCHR1HTR2C |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |