Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | TERF2 | Q15554 | 6/20 | 0.32 |
| ▸ | F2 | P00734 | 1/20 | 0.30 |
| ▸ | ELANE | P08246 | 1/20 | 0.30 |
| ▸ | CTSG | P08311 | 1/20 | 0.30 |
| ▸ | CCR2 | P41597 | 1/20 | 0.30 |
| ▸ | DRD2 | P14416 | 1/20 | 0.30 |
| ▸ | DRD3 | P35462 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7668014 | 0.90 | CCR2 (0.33) | TERF2CCR2 | |
| SCHEMBL6159304 | 0.85 | MME (0.39) | KDM4EALDH1A1CYP1A2POLBCYP2D6 | |
| SCHEMBL6159038 | 0.81 | CASP3 (0.39) | — | |
| SCHEMBL6158938 | 0.74 | MME (0.43) | KDM4EALDH1A1HPGD | |
| SCHEMBL7668008 | 0.70 | CASP3 (0.43) | — | |
| SCHEMBL6161334 | 0.66 | MME (0.34) | — | |
| SCHEMBL6159297 | 0.66 | MME (0.40) | — | |
| SCHEMBL13928458 | 0.62 | CASP1 (0.45) | — | |
| SCHEMBL6160332 | 0.61 | CASP1 (0.43) | F2 | |
| SCHEMBL5903385 | 0.60 | CASP1 (0.55) | — |
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-1062210-B1 | 1,2-DIAZEPANE DERIVATIVES AS INTERLEUKIN-1BETA CONVERTING ENZYME INHIBITORS | VERTEX PHARMA (US) | 2005-06-01 | — | — | EP | disclosed |
| US-6426413-B1 | SUCH AS (N-BENZYLOXYCARBONYL-HYDRAZINO)-ACETIC ACID TERT-BUTYL ESTER; FOR PREVENTING AND TREATING INTERLEUKIN-MEDIATED DISEASES, APOPTOSIS, AUTOIMMUNE DISEASES, BONE DISORDERS, PROLIFERATIVE DISORDERS, INFECTIONS, AND DEGENERATIVE DISEASES | VERTEX PHARMACEUTICALS INCORPORATED | 2002-07-30 | — | — | US | disclosed |