Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRL1 | P41146 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | FAAH | O00519 | 4/20 | 0.37 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.37 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.36 |
| ▸ | CTSK | P43235 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2542108 | 0.75 | CYP1A2 (0.50) | OPRL1HDAC4ALDH1A1CYP2D6FAAH | |
| SCHEMBL1531618 | 0.73 | CYP1A2 (0.51) | OPRL1HDAC4ALDH1A1CYP2D6FAAH | |
| SCHEMBL3419751 | 0.72 | KCNN4 (0.40) | HDAC4HSD11B1AKR1C1 | |
| SCHEMBL15824242 | 0.71 | ALDH1A1 (0.47) | OPRL1ALDH1A1CYP2D6KMT2A | |
| SCHEMBL29308791 | 0.70 | CTSL (0.58) | ALDH1A1FAAHMAPTKMT2ACTSK | |
| SCHEMBL18120838 | 0.70 | ALDH1A1 (0.39) | OPRL1ALDH1A1MAPTKMT2A | |
| SCHEMBL4862033 | 0.69 | OPRL1 (0.49) | OPRL1ALDH1A1CYP2D6MAPTKMT2A | |
| SCHEMBL7540923 | 0.68 | KCNN4 (0.37) | — | |
| SCHEMBL3407709 | 0.68 | SIGMAR1 (0.40) | OPRL1ALDH1A1CYP2D6SIGMAR1P2RX7 | |
| SCHEMBL18120837 | 0.67 | KDM4E (0.39) | OPRL1ALDH1A1KMT2A |
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-1294695-A2 | SUBSTITUTED DIAMIDE DERIVATIVES USEFUL AS MOTILIN ANTAGONISTS | Ortho-McNeil Pharmaceutical, Inc. (US) | 2003-03-26 | — | — | EP | disclosed |
| WO-2001085694-A2 | SUBSTITUTED DIAMIDE DERIVATIVES USEFUL AS MOTILIN ANTAGONISTS | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2001-11-15 | — | — | WO | disclosed |