Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | DPP4 | P27487 | 3/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | PREP | P48147 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | ACE | P12821 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.42 |
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.42 |
| ▸ | DPP8 | Q6V1X1 | 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 | |
|---|---|---|---|---|
| SCHEMBL6541217 | 1.00 | CYP3A4 (0.46) | CYP3A4CYP2C9PKMCYP2C19GAA | |
| SCHEMBL1317730 | 0.80 | DPP4 (0.48) | DPP4ALDH1A1PREPACEDPP8 | |
| SCHEMBL5142393 | 0.76 | KCNH2 (0.43) | GAADPP4HRH3KMT2APREP | |
| SCHEMBL25337497 | 0.75 | DPP4 (0.49) | DPP4ALDH1A1PREPACEDPP8 | |
| SCHEMBL25337504 | 0.75 | DPP4 (0.49) | DPP4ALDH1A1PREPACEDPP8 | |
| SCHEMBL25337500 | 0.75 | DPP4 (0.49) | DPP4ALDH1A1PREPACEDPP8 | |
| SCHEMBL6436560 | 0.74 | ACE (0.65) | ACE | |
| SCHEMBL6436563 | 0.74 | ACE (0.65) | ACE | |
| SCHEMBL6438290 | 0.74 | ACE (0.65) | ACE | |
| SCHEMBL6438293 | 0.74 | ACE (0.65) | ACE |
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-1294700-A2 | BENZHYDRYL DERIVATIVES | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2003-03-26 | — | — | EP | disclosed |
| WO-2002000631-A2 | BENZHYDRYL DERIVATIVES | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2002-01-03 | — | — | WO | disclosed |