Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 3/20 | 0.37 |
| ▸ | MDM2 | Q00987 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.32 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.32 |
| ▸ | DPP4 | P27487 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL6159133 | 0.77 | L3MBTL1 (0.46) | TP53MDM2MEN1KMT2AALDH1A1 | |
| SCHEMBL203546 | 0.71 | DPP4 (0.43) | MEN1KMT2ACYP2D6DPP4ALDH1A1 | |
| SCHEMBL2706210 | 0.71 | DPP4 (0.43) | MEN1KMT2ACYP2D6DPP4ALDH1A1 | |
| SCHEMBL15512066 | 0.71 | DPP4 (0.43) | MEN1KMT2ACYP2D6DPP4ALDH1A1 | |
| SCHEMBL10796225 | 0.70 | DPP4 (0.42) | KMT2ACYP2D6DPP4ALDH1A1TSHR | |
| SCHEMBL10795082 | 0.70 | DPP4 (0.42) | KMT2ACYP2D6DPP4ALDH1A1TSHR | |
| SCHEMBL6818727 | 0.70 | GSK3A (0.47) | TP53MEN1KMT2AALDH1A1 | |
| SCHEMBL10893986 | 0.69 | DPP4 (0.41) | KMT2ACYP2D6DPP4ALDH1A1TSHR | |
| SCHEMBL7350853 | 0.66 | ACE (0.47) | DPP4TSHR | |
| SCHEMBL7068437 | 0.64 | LMNA (0.40) | TP53MDM2MEN1KMT2ACYP2D6 |
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 4 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 |
| EP-1062210-A1 | 1,2-DIAZEPANE DERIVATIVES AS INTERLEUKIN-1BETA CONVERTING ENZYME INHIBITORS | Vertex Pharmaceuticals Incorporated (US) | 2000-12-27 | — | — | EP | disclosed |
| WO-1999046248-A1 | 1,2-DIAZEPANE DERIVATIVES AS INTERLEUKIN-1BETA CONVERTING ENZYME INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 1999-09-16 | — | — | WO | disclosed |