Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR2 | P41597 | 9/20 | 0.75 |
| ▸ | CCR9 | P51686 | 1/20 | 0.61 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.59 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | HPGD | P15428 | 2/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | BLM | P54132 | 1/20 | 0.56 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.56 |
| ▸ | PLA2G4A | P47712 | 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 | |
|---|---|---|---|---|
| SCHEMBL6303307 | 0.93 | CCR2 (0.76) | CCR2CCR9PTGS2ABCB11KDM4E | |
| SCHEMBL4541643 | 0.89 | CCR2 (0.77) | CCR2CCR9PTGS2ABCB11KDM4E | |
| SCHEMBL9536869 | 0.89 | CCR2 (0.76) | CCR2CCR9PTGS2ABCB11KDM4E | |
| SCHEMBL4198698 | 0.87 | CCR2 (0.71) | CCR2CCR9PTGS2ABCB11KDM4E | |
| SCHEMBL6300956 | 0.86 | CCR2 (1.00) | CCR2ABCB11 | |
| SCHEMBL6307185 | 0.85 | CCR2 (0.69) | CCR2CCR9PTGS2ALDH1A1HPGD | |
| SCHEMBL6303376 | 0.85 | CCR2 (0.78) | CCR2CCR9KDM4EALDH1A1HPGD | |
| SCHEMBL3956751 | 0.84 | CCR2 (0.84) | CCR2CCR9ABCB11KDM4EALDH1A1 | |
| SCHEMBL13802512 | 0.83 | KDM4E (0.54) | CCR2KDM4EALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL15642750 | 0.83 | CCR2 (0.76) | CCR2CCR9PTGS2ABCB11 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009063495-A2 | SUBSTITUTED INDOLE AND ITS DERIVATIVES AS CANNABINOID MODULATORS | CADILA HEALTHCARE LIMITED (IN) | 2009-05-22 | — | — | WO | claimed |
| WO-2009063495-A2 | SUBSTITUTED INDOLE AND ITS DERIVATIVES AS CANNABINOID MODULATORS | CADILA HEALTHCARE LIMITED (IN) | 2009-05-22 | — | — | WO | disclosed |