Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 8/20 | 0.55 |
| ▸ | HTR2A | P28223 | 3/20 | 0.55 |
| ▸ | HTR2B | P41595 | 3/20 | 0.55 |
| ▸ | LTA4H | P09960 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.38 |
| ▸ | HRH2 | P25021 | 1/20 | 0.38 |
| ▸ | HRH1 | P35367 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6924479 | 1.00 | HTR2C (0.55) | HTR2CHTR2AHTR2BLTA4HGAA | |
| SCHEMBL3857414 | 0.95 | HTR2A (0.50) | HTR2CHTR2AHTR2BLTA4HGAA | |
| SCHEMBL7065408 | 0.95 | HTR2C (0.49) | HTR2CHTR2AHTR2BLTA4HGAA | |
| SCHEMBL4022252 | 0.79 | HTR2C (0.58) | HTR2CHTR2AHTR2B | |
| Hydrochloric Acid SCHEMBL5237943 | 0.78 | HTR2C (0.57) | HTR2CHTR2AHTR2B | |
| SCHEMBL1929865 | 0.78 | HTR2C (0.58) | HTR2CHTR2AHTR2BLTA4HKDM4E | |
| SCHEMBL5474831 | 0.77 | HTR2C (0.60) | HTR2CHTR2AHTR2BLTA4H | |
| SCHEMBL4023281 | 0.77 | HTR2C (0.60) | HTR2CHTR2AHTR2BLTA4H | |
| Hydrochloric Acid SCHEMBL4024775 | 0.76 | HTR2C (0.59) | HTR2CHTR2AHTR2BLTA4H | |
| Hydrochloric Acid SCHEMBL5467936 | 0.76 | HTR2C (0.59) | HTR2CHTR2AHTR2BLTA4H |
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 8 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-1100495-A4 | PROPENAMIDES AS CCR5 MODULATORS | SMITHKLINE BEECHAM CORP (US) | 2002-09-25 | — | — | EP | disclosed |
| EP-1100495-A1 | PROPENAMIDES AS CCR5 MODULATORS | SMITHKLINE BEECHAM CORPORATION (US) | 2001-05-23 | — | — | EP | 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-2000006153-A1 | PROPENAMIDES AS CCR5 MODULATORS | SMITHKLINE BEECHAM CORPORATION (US) | 2000-02-10 | — | — | WO | disclosed |
| WO-1999001127-A1 | COMPOUNDS AND METHODS | SMITHKLINE BEECHAM CORPORATION (US) | 1999-01-14 | — | — | WO | disclosed |