Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHODH | Q02127 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.54 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 5/20 | 0.49 |
| ▸ | LMNA | P02545 | 4/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | PDE9A | O76083 | 2/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | CDKN1A | P38936 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | SIRT1 | Q96EB6 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4162971 | 0.84 | DHODH (0.58) | DHODHCYP2D6KCNH2MAPTLMNA | |
| SCHEMBL4161153 | 0.84 | DHODH (0.53) | DHODHCYP2D6KCNH2MAPTLMNA | |
| SCHEMBL22856853 | 0.80 | DHODH (0.62) | DHODHCYP2D6KCNH2MAPTLMNA | |
| SCHEMBL4161148 | 0.77 | CYP2D6 (0.60) | DHODHCYP2D6KCNH2MAPTMAPK1 | |
| SCHEMBL4022209 | 0.77 | CYP2D6 (0.63) | DHODHCYP2D6KCNH2MAPTLMNA | |
| SCHEMBL4143065 | 0.77 | BRD3 (0.64) | DHODHCYP2D6KCNH2MAPTLMNA | |
| SCHEMBL22118712 | 0.77 | CYP2D6 (0.63) | DHODHCYP2D6KCNH2MAPTLMNA | |
| SCHEMBL4163867 | 0.76 | CYP2D6 (0.70) | DHODHCYP2D6KCNH2MAPTLMNA | |
| SCHEMBL22135864 | 0.76 | CYP2D6 (0.70) | DHODHCYP2D6KCNH2MAPTLMNA | |
| SCHEMBL16433470 | 0.76 | DHODH (0.58) | DHODHCYP2D6KCNH2MAPTLMNA |
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-2019005841-A1 | THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2019-01-03 | — | — | WO | disclosed |