Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | USP7 | Q93009 | 2/20 | 0.40 |
| ▸ | USP47 | Q96K76 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | VCAM1 | P19320 | 2/20 | 0.37 |
| ▸ | FBP1 | P09467 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.35 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4362286 | 1.00 | AKR1B1 (0.42) | AKR1B1LMNAALDH1A1MAPK1HTT | |
| SCHEMBL13706922 | 0.83 | PDGFRB (0.45) | LMNAALDH1A1MAPK1HTTUSP7 | |
| SCHEMBL940253 | 0.82 | AKR1B1 (0.59) | AKR1B1ALDH1A1MAPTVCAM1CYP3A4 | |
| SCHEMBL15864693 | 0.80 | CYP1A2 (0.41) | LMNAALDH1A1CYP1A2MAPTFBP1 | |
| Hydrochloric Acid SCHEMBL7356687 | 0.80 | AKR1B1 (0.57) | AKR1B1ALDH1A1MAPTVCAM1CYP3A4 | |
| SCHEMBL28094142 | 0.79 | ALDH1A1 (0.43) | LMNAALDH1A1MAPK1HTTUSP7 | |
| SCHEMBL23831772 | 0.75 | FBP1 (0.47) | AKR1B1ALDH1A1MAPK1CYP1A2VCAM1 | |
| SCHEMBL9033491 | 0.75 | AKR1B1 (0.67) | AKR1B1LMNAALDH1A1MAPK1CYP1A2 | |
| SCHEMBL17681792 | 0.74 | AKR1B1 (0.46) | AKR1B1ALDH1A1CYP1A2MAPTCYP3A4 | |
| SCHEMBL17682388 | 0.74 | AKR1B1 (0.46) | AKR1B1ALDH1A1MAPTVCAM1CYP3A4 |
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-2009108551-A2 | HETEROARYL AMIDE ANALOGUES | H. LUNDBECK A/S (DK) | 2009-09-03 | — | — | WO | disclosed |