Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | ERAP2 | Q6P179 | 1/20 | 0.45 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.45 |
| ▸ | LNPEP | Q9UIQ6 | 1/20 | 0.45 |
| ▸ | DPP4 | P27487 | 2/20 | 0.44 |
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.43 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | ACE | P12821 | 2/20 | 0.42 |
| ▸ | HTR1A | P08908 | 2/20 | 0.42 |
| ▸ | HTR7 | P34969 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | PREP | P48147 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6439008 | 0.90 | ALDH1A1 (0.53) | KCNH2ACEALDH1A1SMN1; SMN2 | |
| SCHEMBL6435766 | 0.90 | ALDH1A1 (0.53) | KCNH2ACEALDH1A1SMN1; SMN2 | |
| SCHEMBL6435771 | 0.90 | ALDH1A1 (0.53) | KCNH2ACEALDH1A1SMN1; SMN2 | |
| SCHEMBL6436515 | 0.90 | ALDH1A1 (0.53) | KCNH2ACEALDH1A1SMN1; SMN2 | |
| SCHEMBL6436519 | 0.90 | ALDH1A1 (0.53) | KCNH2ACEALDH1A1SMN1; SMN2 | |
| SCHEMBL16508651 | 0.88 | KCNH2 (0.47) | KCNH2RAB9ADPP4CYP3A4CYP2D6 | |
| SCHEMBL14664118 | 0.85 | RAB9A (0.47) | KCNH2RAB9ADPP4CYP3A4CYP2D6 | |
| SCHEMBL2355316 | 0.83 | SCN9A (0.52) | KCNH2RAB9ADPP4HTR1AHTR7 | |
| SCHEMBL6980126 | 0.82 | AGTR2 (0.52) | DPP4 | |
| SCHEMBL13570514 | 0.81 | F2 (0.53) | RAB9AERAP2ERAP1LNPEPDPP4 |
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-2519506-A1 | HEPATITIS C VIRUS INHIBITORS | Bristol-Myers Squibb Company (US) | 2012-11-07 | — | — | EP | claimed |
| WO-2011082077-A1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-07-07 | — | — | WO | claimed |