Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.37 |
| ▸ | GLS | O94925 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | ALOX15B | O15296 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | MIF | P14174 | 1/20 | 0.34 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.34 |
| ▸ | PSMB9 | P28065 | 1/20 | 0.34 |
| ▸ | PSMB5 | P28074 | 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 | |
|---|---|---|---|---|
| SCHEMBL20494195 | 0.96 | GLS (0.40) | CYP1A2CHRNB2CHRNA4CYP19A1GLS | |
| SCHEMBL1403947 | 0.91 | CHRNB2 (0.39) | CYP1A2CHRNB2CHRNA4ALDH1A1CYP11B2 | |
| SCHEMBL29770692 | 0.91 | CHRNB2 (0.39) | CYP1A2CHRNB2CHRNA4ALDH1A1CYP11B2 | |
| SCHEMBL17115626 | 0.88 | GLS (0.49) | CYP1A2CHRNB2CHRNA4GLSLMNA | |
| SCHEMBL18836896 | 0.83 | GLS (0.40) | CYP1A2CHRNB2CHRNA4GLSALDH1A1 | |
| SCHEMBL17099623 | 0.83 | GLS (0.40) | CYP1A2CHRNB2CHRNA4GLSALDH1A1 | |
| SCHEMBL13934264 | 0.82 | BPTF (0.44) | CYP1A2CHRNB2CHRNA4 | |
| SCHEMBL3068827 | 0.75 | CCR2 (0.39) | CYP1A2 | |
| SCHEMBL29817980 | 0.74 | BACE1 (0.43) | GLSCYP11B2LMNA | |
| SCHEMBL4327790 | 0.72 | GLS (0.39) | CYP19A1GLSCYP11B2MIFPSMB8 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015161011-A1 | BENZAMIDE CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2015-10-22 | — | — | WO | disclosed |