Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | XDH | P47989 | 1/20 | 0.43 |
| ▸ | GFER | P55789 | 1/20 | 0.43 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.43 |
| ▸ | RELA | Q04206 | 1/20 | 0.43 |
| ▸ | FUT7 | Q11130 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL165561 | 0.94 | ALDH1A1 (0.46) | ALDH1A1KDM4ELMNAPOLBHSD17B10 | |
| SCHEMBL4748774 | 0.90 | ALDH1A1 (0.43) | ALDH1A1KDM4ELMNAPOLBHSD17B10 | |
| SCHEMBL3855872 | 0.84 | LMNA (0.42) | ALDH1A1KDM4ELMNAPOLBHSD17B10 | |
| SCHEMBL4749719 | 0.84 | SMN1; SMN2 (0.48) | ALDH1A1KDM4ELMNAPOLBHSD17B10 | |
| SCHEMBL4185091 | 0.84 | POLB (0.66) | ALDH1A1POLBHSD17B10MAPTHPGD | |
| SCHEMBL6091535 | 0.83 | HPGD (0.58) | ALDH1A1KDM4ELMNAPOLBHSD17B10 | |
| SCHEMBL4751271 | 0.79 | STAT3 (0.36) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL23668746 | 0.78 | KDM4E (0.59) | ALDH1A1KDM4ELMNAPOLBHSD17B10 | |
| SCHEMBL13326380 | 0.78 | KDM4E (0.54) | ALDH1A1KDM4ELMNAPOLBHSD17B10 | |
| SCHEMBL475593 | 0.77 | POLB (0.70) | ALDH1A1KDM4ELMNAPOLBHSD17B10 |
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-2009034029-A2 | 1-SUBSTITUTED 4-HETEROCYCLYLPIPERIDINES FOR USE AS CGRP ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-03-19 | — | — | WO | disclosed |