Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 13/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 12/20 | 0.51 |
| ▸ | CYP2E1 | P05181 | 11/20 | 0.51 |
| ▸ | CYP2B6 | P20813 | 10/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 9/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 9/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 10/20 | 0.48 |
| ▸ | CYP2C8 | P10632 | 7/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL10150362 | 0.89 | CYP2A6 (0.62) | CYP2A6CYP2C19CYP2E1CYP2B6CYP2C9 | |
| SCHEMBL17081903 | 0.77 | PTPN11 (0.42) | CYP3A4AAK1 | |
| SCHEMBL765428 | 0.72 | LMNA (0.41) | CYP2C19LMNAACHEKDM4EALDH1A1 | |
| SCHEMBL10150889 | 0.71 | CYP2A6 (0.36) | CYP2A6CYP2C19LMNA | |
| SCHEMBL23781563 | 0.69 | CYP2A6 (0.97) | CYP2A6CYP2C19CYP2E1CYP2B6CYP2C9 | |
| SCHEMBL31208537 | 0.68 | SIRT3 (0.49) | CYP2C19LMNA | |
| SCHEMBL13392160 | 0.67 | CNR2 (0.37) | CYP2C19CYP2C9CYP2D6CYP3A4LMNA | |
| SCHEMBL23781592 | 0.66 | CYP2A6 (0.96) | CYP2A6CYP2C19CYP2E1CYP2B6CYP2C9 | |
| SCHEMBL23888581 | 0.65 | AAK1 (0.38) | CYP3A4AAK1ALDH1A1SMN1; SMN2 | |
| SCHEMBL27535690 | 0.65 | KCNA3 (0.55) | CYP2C19CYP2C9CYP1A2CYP2D6LMNA |
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-2431380-A2 | Macrocyclic antagonist of the motilin receptor for treatment of gastrointestinal dysmotility disorders | Tranzyme Pharma, Inc. (US) | 2012-03-21 | — | — | EP | disclosed |