Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCHR1 | Q99705 | 9/20 | 0.77 |
| ▸ | KDR | P35968 | 1/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | MAPT | P10636 | 1/20 | 0.57 |
| ▸ | TSHR | P16473 | 1/20 | 0.57 |
| ▸ | RAB9A | P51151 | 1/20 | 0.57 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.57 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.56 |
| ▸ | LSS | P48449 | 1/20 | 0.56 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.56 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.56 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.55 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.55 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.55 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.55 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.55 |
| ▸ | CHRNA10 | Q9GZZ6 | 1/20 | 0.55 |
| ▸ | CHRNA9 | Q9UGM1 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL6924167 | 0.94 | MCHR1 (0.71) | MCHR1KDRKDM4EALDH1A1MAPT | |
| SCHEMBL6803781 | 0.87 | MCHR1 (1.00) | MCHR1 | |
| SCHEMBL6920369 | 0.87 | MCHR1 (0.68) | MCHR1MAPTRAB9AMCL1 | |
| SCHEMBL6928640 | 0.82 | MCHR1 (0.92) | MCHR1KDM4EALDH1A1MAPTHSD17B10 | |
| SCHEMBL6928025 | 0.81 | MAOB (0.66) | MCHR1KDRKDM4EALDH1A1MAPT | |
| SCHEMBL22831331 | 0.81 | LSS (0.83) | KDM4EALDH1A1MAPTRAB9AHRH3 | |
| SCHEMBL5582704 | 0.81 | MCHR1 (0.70) | MCHR1KDM4EMAPTRAB9APTPN1 | |
| SCHEMBL6929529 | 0.80 | MCHR1 (0.65) | MCHR1KDM4EALDH1A1CACNA1HCACNA1B | |
| SCHEMBL16712946 | 0.80 | MCHR1 (0.61) | MCHR1KDRHRH3 | |
| SCHEMBL8126082 | 0.80 | RARB (0.63) | KDM4ETSHRLSS |
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 |