Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR2 | P41597 | 12/20 | 0.64 |
| ▸ | CCR1 | P32246 | 2/20 | 0.63 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.61 |
| ▸ | CCR4 | P51679 | 1/20 | 0.61 |
| ▸ | CCR5 | P51681 | 1/20 | 0.61 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.61 |
| ▸ | ACLY | P53396 | 2/20 | 0.55 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.54 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.53 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL4258125 | 0.90 | CCR2 (0.61) | CCR2CCR1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL4258131 | 0.89 | CCR2 (0.55) | CCR2CCR1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL3052654 | 0.82 | CCR2 (0.66) | CCR2CCR1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL3152930 | 0.80 | KDM4E (0.65) | CCR2CCR1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL4222158 | 0.79 | MCL1 (0.60) | CCR2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL641133 | 0.79 | HPGD (0.62) | CCR2CCR1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL23141245 | 0.78 | ACLY (0.60) | ACLYPTGDR2 | |
| SCHEMBL31261221 | 0.78 | ACLY (0.60) | ACLYPTGDR2 | |
| SCHEMBL8099718 | 0.76 | PTGS1 (0.68) | CCR2CCR1ACLYNPC1TSHR | |
| SCHEMBL5094269 | 0.75 | CCR2 (0.57) | CCR2CCR1CYP1A2CYP3A4CYP2D6 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2076491-A1 | NEW BENZAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS | Richter Gedeon NYRT (HU) | 2009-07-08 | — | — | EP | disclosed |
| WO-2008068540-A1 | NEW BENZAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS | RICHTER GEDEON NYRT. (HU) | 2008-06-12 | — | — | WO | disclosed |