Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.63 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.63 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.63 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.57 |
| ▸ | RAB9A | P51151 | 2/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.54 |
| ▸ | MAPT | P10636 | 2/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.52 |
| ▸ | MEN1 | O00255 | 3/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL6581443 | 0.86 | MAPT (0.60) | CYP2C19CYP1A2CYP2C9RAB9ASMN1; SMN2 | |
| SCHEMBL952359 | 0.86 | GAA (0.60) | GPR119RAB9ASMN1; SMN2MAPTNPC1 | |
| Hydrochloric Acid SCHEMBL6581546 | 0.85 | MAPT (0.58) | CYP2C19CYP1A2CYP2C9RAB9ASMN1; SMN2 | |
| SCHEMBL10246301 | 0.84 | CYP1A2 (0.63) | CYP2C19CYP1A2CYP2C9RAB9ASMN1; SMN2 | |
| SCHEMBL22489653 | 0.82 | ALDH1A1 (0.53) | GPR119RAB9ASMN1; SMN2MAPTNPC1 | |
| SCHEMBL15134826 | 0.82 | CYP1A2 (0.69) | CYP2C19CYP1A2CYP2C9RAB9ASMN1; SMN2 | |
| SCHEMBL8235480 | 0.82 | ALDH1A1 (0.79) | CYP2C19CYP1A2CYP2C9RAB9ASMN1; SMN2 | |
| SCHEMBL392783 | 0.81 | ALDH1A1 (0.72) | CYP1A2MAPTALDH1A1LMNA | |
| SCHEMBL2056118 | 0.81 | GPR119 (0.77) | CYP2C19GPR119SMN1; SMN2MAPTHTT | |
| SCHEMBL29188760 | 0.81 | KMT2A (0.70) | CYP2C19GPR119SMN1; SMN2ALDH1A1POLB |
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 |
|---|---|---|---|---|---|---|---|
| EP-2258399-A2 | Multivalent VLA-4 antagonists comprising polymer moieties | Elan Pharmaceuticals Inc. (US) | 2010-12-08 | — | — | EP | disclosed |