Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.56 |
| ▸ | SLC6A2 | P23975 | 6/20 | 0.50 |
| ▸ | CHRNB4 | P30926 | 6/20 | 0.50 |
| ▸ | CHRNA3 | P32297 | 6/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 6/20 | 0.50 |
| ▸ | CHRNB2 | P17787 | 5/20 | 0.50 |
| ▸ | CHRNA4 | P43681 | 5/20 | 0.50 |
| ▸ | CHRNA1 | P02708 | 4/20 | 0.50 |
| ▸ | CHRNG | P07510 | 4/20 | 0.50 |
| ▸ | CHRNB1 | P11230 | 4/20 | 0.50 |
| ▸ | CHRND | Q07001 | 4/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL17911066 | 0.87 | CYP2D6 (0.46) | ACHEHPGDGAAKDM4EMEN1 | |
| SCHEMBL26144986 | 0.84 | OPRM1 (0.47) | ACHEHPGDGAAKDM4EMEN1 | |
| SCHEMBL608660 | 0.82 | ACHE (0.50) | ACHESLC6A2CHRNB4CHRNA3SLC6A3 | |
| SCHEMBL11189977 | 0.78 | ACHE (0.55) | ACHEALDH1A1CYP2C9CYP2D6CYP1A2 | |
| SCHEMBL11191579 | 0.78 | ACHE (0.55) | ACHEALDH1A1CYP2C9CYP2D6CYP1A2 | |
| SCHEMBL8498919 | 0.77 | KMT2A (0.61) | HPGDGAAKDM4EMEN1ALDH1A1 | |
| SCHEMBL2631769 | 0.76 | CYP2D6 (0.79) | GAAMEN1ALDH1A1KMT2ACYP2C9 | |
| SCHEMBL20191913 | 0.76 | CYP2D6 (0.79) | GAAMEN1ALDH1A1KMT2ACYP2C9 | |
| SCHEMBL1406105 | 0.76 | CYP2D6 (0.79) | GAAMEN1ALDH1A1KMT2ACYP2C9 | |
| SCHEMBL11180959 | 0.76 | ACHE (0.52) | ACHESLC6A3ALDH1A1SLC6A4CYP2C9 |
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 |