Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR2 | P41597 | 14/20 | 0.83 |
| ▸ | CCR1 | P32246 | 4/20 | 0.83 |
| ▸ | KDM1A | O60341 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | CCR4 | P51679 | 1/20 | 0.55 |
| ▸ | CCR5 | P51681 | 1/20 | 0.55 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.55 |
| ▸ | USP36 | Q9P275 | 1/20 | 0.49 |
| ▸ | ACLY | P53396 | 1/20 | 0.48 |
| ▸ | CCR9 | P51686 | 1/20 | 0.46 |
| ▸ | FLT1 | P17948 | 1/20 | 0.46 |
| ▸ | FLT4 | P35916 | 1/20 | 0.46 |
| ▸ | KDR | P35968 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL8740786 | 0.91 | CCR2 (1.00) | CCR2CCR1KDM1ACYP1A2CYP3A4 | |
| SCHEMBL5665185 | 0.91 | CCR2 (1.00) | CCR2CCR1KDM1ACYP1A2CYP3A4 | |
| SCHEMBL8067129 | 0.88 | CCR2 (0.77) | CCR2CCR1KDM1ACYP1A2CYP3A4 | |
| Diphenylmethanol SCHEMBL8067132 | 0.85 | CCR2 (0.88) | CCR2CCR1KDM1ACYP1A2CYP3A4 | |
| SCHEMBL5666650 | 0.84 | CCR2 (0.88) | CCR2CCR1KDM1ACYP1A2CYP3A4 | |
| SCHEMBL5667420 | 0.83 | CCR2 (0.86) | CCR2CCR1KDM1ACYP1A2CYP3A4 | |
| SCHEMBL5665401 | 0.82 | CCR2 (0.85) | CCR2CCR1KDM1ACYP1A2CYP3A4 | |
| SCHEMBL8067188 | 0.82 | CCR2 (0.67) | CCR2CCR1KDM1ACYP1A2CYP3A4 | |
| SCHEMBL30410481 | 0.81 | CCR2 (0.79) | CCR2CCR1KDM1ACYP1A2CYP3A4 | |
| SCHEMBL5665013 | 0.81 | CCR2 (0.79) | CCR2CCR1KDM1ACYP1A2CYP3A4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0799198-A4 | — | — | 1997-10-15 | — | — | EP | disclosed |
| EP-0799198-A1 | ANTI-INFLAMMATORY COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 1997-10-08 | — | — | EP | disclosed |
| WO-1995033461-A1 | ANTI-INFLAMMATORY COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 1995-12-14 | — | — | WO | disclosed |