Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 1/20 | 0.44 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.44 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.44 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.43 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.43 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.43 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.43 |
| ▸ | PRKAG3 | Q9UGI9 | 1/20 | 0.43 |
| ▸ | PRKAG2 | Q9UGJ0 | 1/20 | 0.43 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.43 |
| ▸ | PRF1 | P14222 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | MMP2 | P08253 | 3/20 | 0.41 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL243984 | 0.80 | ADORA1 (0.49) | ADORA1PRKAB2PRKAG1PRKAA2PRKAA1 | |
| SCHEMBL28185544 | 0.77 | CYP11B1 (0.54) | ADORA1CYP11B1CYP11B2ALDH1A1KDM4E | |
| SCHEMBL5096555 | 0.74 | MMP2 (0.67) | ALDH1A1RECQLMMP2HPGDMMP3 | |
| SCHEMBL245394 | 0.74 | ADORA1 (0.55) | ADORA1PRF1ALDH1A1RECQLKDM4E | |
| SCHEMBL410754 | 0.74 | MMP2 (0.61) | ALDH1A1RECQLMMP2NR1I2MMP3 | |
| Water SCHEMBL29229746 | 0.73 | ALDH1A1 (0.71) | ALDH1A1RECQLNR1I2L3MBTL1 | |
| SCHEMBL25361792 | 0.71 | ADORA1 (0.65) | ADORA1ALDH1A1KDM4EL3MBTL1 | |
| SCHEMBL30553754 | 0.71 | MAOB (0.56) | CYP11B1CYP11B2PRKAB2PRKAG1PRKAA2 | |
| SCHEMBL29043678 | 0.71 | MAOB (0.56) | CYP11B1CYP11B2PRKAB2PRKAG1PRKAA2 | |
| SCHEMBL27001728 | 0.71 | NSD2 (0.46) | PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3292133-B1 | METHOD FOR THE PREPARATION OF 2-{4-[2-({[2-(4-CHLOROPHENYL) -1,3-THIAZOL-4-YL]METHYL}SULFANYL)-3,5-DICYAN-6- (PYRROLIDIN-1-YL)PYRIDIN-4-YL]PHENOXY}ETHYL-L-ALANYL-L-ALANINATE HYDROCHLORIDE | Bayer Pharma AG (DE) | 2019-06-26 | — | — | EP | disclosed |