Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | AOC1 | P19801 | 6/20 | 0.36 |
| ▸ | AOC3 | Q16853 | 6/20 | 0.36 |
| ▸ | ADRB2 | P07550 | 4/20 | 0.36 |
| ▸ | ADRB1 | P08588 | 4/20 | 0.36 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | GSK3B | P49841 | 1/20 | 0.32 |
| ▸ | HRH1 | P35367 | 4/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL13392160 | 0.87 | CNR2 (0.37) | ADRB2ADRB1LMNACYP2C19 | |
| SCHEMBL14260233 | 0.81 | ADRB2 (0.35) | ADRB2ADRB1LMNA | |
| SCHEMBL764884 | 0.80 | ADRB2 (0.55) | ADRB2ADRB1LMNA | |
| SCHEMBL10150235 | 0.76 | LMNA (0.39) | CYP2A6ADRB2ADRB1LMNACYP2C19 | |
| SCHEMBL13410379 | 0.75 | ADRB2 (0.45) | ADRB2ADRB1 | |
| SCHEMBL764868 | 0.73 | LMNA (0.39) | CYP2A6ADRB2ADRB1LMNAHRH1 | |
| SCHEMBL765428 | 0.73 | LMNA (0.41) | LMNACYP2C19MAPTGSK3B | |
| SCHEMBL11483961 | 0.73 | HRH1 (0.44) | CYP2A6AOC1AOC3LOXL2CYP2C19 | |
| SCHEMBL19330377 | 0.71 | ALB (0.37) | AOC1AOC3LOXL2MAPT | |
| SCHEMBL764228 | 0.71 | CYP2A6 (0.51) | CYP2A6LMNACYP2C19 |
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-2431380-A2 | Macrocyclic antagonist of the motilin receptor for treatment of gastrointestinal dysmotility disorders | Tranzyme Pharma, Inc. (US) | 2012-03-21 | — | — | EP | disclosed |
| WO-2008033328-A2 | MACROCYCLIC ANTAGONISTS OF THE MOTILIN RECEPTOR FOR TREATMENT OF GASTROINTESTINAL DYSMOTILITY DISORDERS | TRANZYME PHARMA, INC. (US) | 2008-03-20 | — | — | WO | disclosed |