Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.37 |
| ▸ | TGM2 | P21980 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | AHR | P35869 | 2/20 | 0.33 |
| ▸ | CMA1 | P23946 | 1/20 | 0.33 |
| ▸ | NCF1 | P14598 | 1/20 | 0.33 |
| ▸ | AXL | P30530 | 1/20 | 0.32 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.32 |
| ▸ | PARP10 | Q53GL7 | 2/20 | 0.32 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.32 |
| ▸ | PARP1 | P09874 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 2/20 | 0.31 |
| ▸ | METAP2 | P50579 | 2/20 | 0.31 |
| ▸ | CSNK2A1 | P68400 | 2/20 | 0.31 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28904944 | 0.83 | AHR (0.37) | BRD4TGM2CES1AHRCMA1 | |
| SCHEMBL884143 | 0.74 | AHR (0.37) | TGM2CES1AHRCMA1NCF1 | |
| SCHEMBL1570867 | 0.69 | BRD4 (0.34) | BRD4TGM2CES1MEN1KMT2A | |
| SCHEMBL6829817 | 0.69 | KDM4E (0.53) | MEN1KMT2AAXLPARP10PARP11 | |
| SCHEMBL1199148 | 0.67 | HTR1D (0.34) | BRD4TGM2CES1PARP10PARP11 | |
| SCHEMBL28878299 | 0.66 | CMA1 (0.46) | BRD4TGM2CES1MEN1KMT2A | |
| SCHEMBL16602487 | 0.65 | AHR (0.41) | BRD4TGM2CES1MEN1KMT2A | |
| SCHEMBL384362 | 0.65 | KDM4E (0.48) | BRD4TGM2CES1MEN1KMT2A | |
| SCHEMBL24368494 | 0.64 | BCL2 (0.39) | TGM2CES1MEN1KMT2APARP10 | |
| SCHEMBL1199069 | 0.64 | TGM2 (0.31) | BRD4TGM2CES1AHRCMA1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1441719-A1 | N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2004-08-04 | — | — | EP | claimed |
| WO-2003037327-A1 | N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS | F. HOFFMANN-LA-ROCHE AG (CH) | 2003-05-08 | — | — | WO | claimed |
| EP-2018371-A1 | PRIMARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO | Arena Pharmaceuticals, Inc. (US) | 2009-01-28 | — | — | EP | disclosed |
| WO-2007136703-A1 | PRIMARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO | ARENA PHARMACEUTICALS, INC. (US) | 2007-11-29 | — | — | WO | disclosed |
| EP-1441719-A1 | N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2004-08-04 | — | — | EP | disclosed |
| WO-2003037327-A1 | N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS | F. HOFFMANN-LA-ROCHE AG (CH) | 2003-05-08 | — | — | WO | disclosed |