Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 6/20 | 0.39 |
| ▸ | NPC1 | O15118 | 5/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | MGLL | Q99685 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.35 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.35 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.34 |
| ▸ | RELA | Q04206 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL23844179 | 0.82 | HRH3 (0.44) | SMN1; SMN2KMT2AKDM4EMEN1ATM | |
| SCHEMBL24947598 | 0.74 | PRMT6 (0.41) | KDM4EHRH3TAAR1MAPTCYP2D6 | |
| SCHEMBL21613839 | 0.74 | HRH3 (0.39) | SMN1; SMN2KMT2AKDM4EMEN1ATM | |
| SCHEMBL18583232 | 0.72 | HPGD (0.43) | SMN1; SMN2KMT2AMEN1POLBRAB9A | |
| SCHEMBL20311368 | 0.72 | MAOB (0.38) | SMN1; SMN2KMT2AKDM4EMEN1POLB | |
| SCHEMBL21991191 | 0.72 | SMN1; SMN2 (0.43) | SMN1; SMN2KMT2AKDM4EMEN1RAB9A | |
| SCHEMBL24715763 | 0.68 | KDM4E (0.57) | KMT2AKDM4EMEN1RAB9ANPC1 | |
| SCHEMBL15721254 | 0.68 | MAPK1 (0.44) | KMT2AKDM4EMEN1POLBRAB9A | |
| SCHEMBL19903214 | 0.68 | HPGD (0.39) | SMN1; SMN2KMT2AMEN1ATMRAB9A | |
| SCHEMBL19274519 | 0.68 | ALDH1A1 (0.32) | MGLLMAPT |
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-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 |