Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSC | P53634 | 1/20 | 0.41 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.40 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.40 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.36 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | CCNC | P24863 | 1/20 | 0.35 |
| ▸ | CDK8 | P49336 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL19592149 | 0.85 | CTSC (0.45) | CTSCTSHRALDH1A1CYP1A2PKM | |
| SCHEMBL19362764 | 0.80 | PKM (0.39) | CSNK2A2CSNK2BCSNK2A1TSHRALDH1A1 | |
| SCHEMBL20172639 | 0.78 | GPR55 (0.46) | ALDH1A1PKMKMT2AADORA3HSD11B1 | |
| SCHEMBL17766366 | 0.74 | IL2 (0.55) | KMT2AHTTSMN1; SMN2 | |
| SCHEMBL16362080 | 0.73 | HSD17B10 (0.35) | CTSCTSHRKDM4EALDH1A1HSD17B10 | |
| SCHEMBL30538040 | 0.73 | AHR (0.37) | TSHRKDM4EALDH1A1HSD17B10PKM | |
| SCHEMBL30445159 | 0.73 | HSD17B10 (0.35) | CTSCTSHRKDM4EALDH1A1HSD17B10 | |
| SCHEMBL4869474 | 0.73 | PKM (0.33) | CTSCTSHRKDM4EALDH1A1PKM | |
| SCHEMBL19360279 | 0.71 | PPARG (0.39) | CTSCALDH1A1PKMKMT2A | |
| SCHEMBL14867215 | 0.69 | ASAH1 (0.42) | KDM4EALDH1A1PKMKMT2AADORA3 |
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-3323814-B1 | (2S)-N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4-OXAZEPANE-2-CARBOXAMIDES AS DIPEPTIDYL PEPTIDASE I INHIBITORS | ASTRAZENECA AB (SE) | 2020-05-13 | — | — | EP | disclosed |
| EP-3323814-A1 | (2S)-N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4-OXAZEPANE-2-CARBOXAMIDES AS DIPEPTIDYL PEPTIDASE I INHIBITORS | AstraZeneca AB (SE) | 2018-05-23 | — | — | EP | disclosed |