Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 6/20 | 0.54 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.50 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.50 |
| ▸ | HTR5A | P47898 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | BRD4 | O60885 | 1/20 | 0.38 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.38 |
| ▸ | MGAM | O43451 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | SI | P14410 | 1/20 | 0.36 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL13847291 | 0.75 | AR (0.36) | AKR1B1PDK2PDK4GAAALDH1A1 | |
| SCHEMBL13846615 | 0.75 | AR (0.36) | AKR1B1 | |
| SCHEMBL13846616 | 0.72 | GSK3B (0.37) | AKR1B1GAAALDH1A1 | |
| SCHEMBL13068318 | 0.72 | GSK3B (0.37) | AKR1B1LMNAGAAPOLBKMT2A | |
| SCHEMBL2877376 | 0.72 | PDK2 (0.44) | AKR1B1PDK2PDK4LMNABRD4 | |
| SCHEMBL14501652 | 0.68 | PDK2 (0.59) | AKR1B1PDK2PDK4HTR5ALMNA | |
| SCHEMBL12990106 | 0.68 | PDK2 (0.64) | AKR1B1PDK2PDK4HTR5ALMNA | |
| SCHEMBL13769940 | 0.67 | PDK2 (0.40) | AKR1B1PDK2PDK4BRD4CREBBP | |
| SCHEMBL319934 | 0.67 | PDK2 (1.00) | AKR1B1PDK2PDK4LMNAGAA | |
| SCHEMBL29518706 | 0.67 | PDK2 (1.00) | AKR1B1PDK2PDK4LMNAGAA |
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 |