Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 4/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| SCHEMBL13004298 | 0.84 | ALOX15 (0.58) | CYP1A2CYP2C9CYP2C19ALDH1A1POLB | |
| SCHEMBL15134826 | 0.81 | CYP1A2 (0.69) | CYP1A2CYP2C9CYP2C19ALDH1A1POLB | |
| SCHEMBL8235480 | 0.80 | ALDH1A1 (0.79) | CYP1A2CYP2C9CYP2C19ALDH1A1POLB | |
| SCHEMBL13043643 | 0.80 | CYP2C19 (0.63) | CYP1A2CYP2C9CYP2C19ALDH1A1POLB | |
| SCHEMBL10246301 | 0.80 | CYP1A2 (0.63) | CYP1A2CYP2C9CYP2C19ALDH1A1POLB | |
| SCHEMBL12994617 | 0.79 | ALDH1A1 (0.82) | CYP1A2CYP2C9CYP2C19ALDH1A1POLB | |
| SCHEMBL8747161 | 0.78 | ALDH1A1 (0.79) | CYP1A2CYP2C9CYP2C19ALDH1A1POLB | |
| SCHEMBL8247308 | 0.76 | CYP1A2 (1.00) | CYP1A2CYP2C9CYP2C19POLBRAB9A | |
| SCHEMBL653157 | 0.76 | CYP1A2 (0.67) | CYP1A2CYP2C9CYP2C19ALDH1A1POLB | |
| SCHEMBL5426988 | 0.76 | CYP1A2 (0.67) | CYP1A2CYP2C9CYP2C19ALDH1A1POLB |
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 2 patents. 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 |
| WO-2005000244-A2 | METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS | ELAN PHARMACEUTICALS, INC. (US) | 2005-01-06 | — | — | WO | disclosed |