Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.53 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.53 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.53 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.48 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.48 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.43 |
| ▸ | PTGER1 | P34995 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | FYN | P06241 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.38 |
| ▸ | TDO2 | P48775 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8214324 | 0.83 | FYN (0.42) | CYP2A6CYP2B6CYP2E1PTGER1FYN | |
| SCHEMBL13510674 | 0.83 | CYP2A6 (0.50) | CYP2A6CYP2B6CYP2E1ADORA1ADORA2A | |
| SCHEMBL8205966 | 0.82 | KMT2A (0.48) | ADORA1SMN1; SMN2GAAMAPT | |
| SCHEMBL13509082 | 0.81 | CYP2A6 (0.48) | CYP2A6CYP2B6CYP2E1ADORA1ADORA2A | |
| SCHEMBL8221922 | 0.80 | GABRA1 (0.46) | CYP2A6ADORA1GAA | |
| SCHEMBL13996078 | 0.74 | CYP2A6 (0.57) | CYP2A6CYP2B6CYP2E1ADORA1ADORA2A | |
| SCHEMBL8208163 | 0.74 | ALDH1A1 (0.46) | CYP2A6CYP2B6CYP2E1ADORA1ADORA2A | |
| SCHEMBL8214143 | 0.72 | ALDH1A1 (0.54) | ADORA1ADORA2ACYP3A4CYP2C9CYP2C19 | |
| SCHEMBL15656804 | 0.72 | ADORA1 (0.40) | CYP2A6CYP2B6CYP2E1ADORA1ADORA2A | |
| SCHEMBL8214626 | 0.71 | PDPK1 (0.58) | CYP2A6ADORA1ADORA2AMAPT |
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-2008021960-A2 | TRIAZOLYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS | ENANTA PHARMACEUTICALS, INC. (US) | 2008-02-21 | — | — | WO | disclosed |