Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.51 |
| ▸ | STS | P08842 | 1/20 | 0.49 |
| ▸ | ACHE | P22303 | 2/20 | 0.48 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | GPR119 | Q8TDV5 | 2/20 | 0.48 |
| ▸ | HTR2A | P28223 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | JAK2 | O60674 | 1/20 | 0.47 |
| ▸ | JAK1 | P23458 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL3570582 | 0.88 | ACHE (0.61) | MAPTSTSACHEKDM4EALDH1A1 | |
| SCHEMBL3712707 | 0.88 | MEN1 (0.59) | STSSIGMAR1MEN1KMT2AKCNH2 | |
| SCHEMBL13443092 | 0.84 | ACHE (0.54) | MAPTSTSACHEKDM4EALDH1A1 | |
| SCHEMBL3779080 | 0.84 | CHRM4 (0.56) | MAPTSTSACHEKDM4EALDH1A1 | |
| SCHEMBL7986044 | 0.83 | SIGMAR1 (0.55) | ACHESIGMAR1MEN1KMT2AKCNH2 | |
| SCHEMBL27430030 | 0.83 | MAPT (0.64) | MAPTHRH3ACHESIGMAR1KDM4E | |
| SCHEMBL7362773 | 0.83 | CHRM4 (0.59) | MAPTACHEKDM4EALDH1A1GPR119 | |
| Hydrochloric Acid SCHEMBL3966170 | 0.83 | CHRM4 (0.55) | MAPTSTSACHEKDM4EALDH1A1 | |
| SCHEMBL119649 | 0.83 | SMN1; SMN2 (0.58) | HRH3STSSIGMAR1KDM4EGPR119 | |
| SCHEMBL310136 | 0.83 | SMN1; SMN2 (0.58) | HRH3STSSIGMAR1KDM4EGPR119 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1738805-A | N- (1-benzyl-2-oxo-2- (1-piperazinyl) ethyl) -1-piperidincarboxamid-derivatives and related compounds use as CGRP-antagonists for treating a headache | BOEHRINGER INGELHEIM INT (DE) | 2006-02-22 | — | — | CN | disclosed |