Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR2 | P41597 | 12/20 | 0.51 |
| ▸ | CCR1 | P32246 | 4/20 | 0.51 |
| ▸ | ACLY | P53396 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | CCR4 | P51679 | 1/20 | 0.41 |
| ▸ | CCR5 | P51681 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | KCNA5 | P22460 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8075169 | 0.92 | CCR2 (0.61) | CCR2CCR1ACLYKDM4EMEN1 | |
| SCHEMBL8075190 | 0.91 | CCR2 (0.52) | CCR2CCR1ACLYKDM4EMEN1 | |
| SCHEMBL8080271 | 0.90 | CCR2 (0.52) | CCR2CCR1ACLYKDM4EMEN1 | |
| SCHEMBL5664918 | 0.87 | CCR2 (0.66) | CCR2CCR1ACLYMEN1GAA | |
| Diphenylmethanol SCHEMBL8080244 | 0.87 | CCR2 (0.59) | CCR2CCR1ACLYMEN1GAA | |
| SCHEMBL8075195 | 0.86 | CCR2 (0.66) | CCR2CCR1ACLYKDM4EMEN1 | |
| SCHEMBL8067188 | 0.85 | CCR2 (0.67) | CCR2CCR1ACLYMEN1GAA | |
| SCHEMBL8067136 | 0.84 | CCR2 (0.65) | CCR2CCR1ACLYKDM4EMEN1 | |
| SCHEMBL8075168 | 0.83 | CCR1 (0.49) | CCR2CCR1ACLYKDM4EMEN1 | |
| SCHEMBL8067117 | 0.83 | CCR2 (0.61) | CCR2CCR1ACLYKDM4EGAA |
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-0799198-B1 | ANTI-INFLAMMATORY COMPOUNDS | SMITHKLINE BEECHAM CORP (US) | 2000-08-30 | — | — | EP | disclosed |
| EP-0799198-A4 | — | — | 1997-10-15 | — | — | EP | disclosed |
| EP-0799198-A1 | ANTI-INFLAMMATORY COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 1997-10-08 | — | — | EP | disclosed |
| US-5545669-A | Anti-inflammatory compounds | SMITHKLINE BEECHAM CORPORATION | 1996-08-13 | — | — | US | disclosed |
| WO-1995033461-A1 | ANTI-INFLAMMATORY COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 1995-12-14 | — | — | WO | disclosed |