Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 7/20 | 0.39 |
| ▸ | ACHE | P22303 | 6/20 | 0.39 |
| ▸ | BCHE | P06276 | 5/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6394314 | 0.75 | PTGS2 (0.57) | PTGS2ACHEBCHENPC1RAB9A | |
| SCHEMBL1413359 | 0.74 | PTGS2 (0.44) | PTGS2ACHEBCHENPC1RAB9A | |
| SCHEMBL533521 | 0.73 | ALDH1A1 (0.38) | NPC1RAB9A | |
| SCHEMBL31738488 | 0.72 | PTGS2 (0.40) | PTGS2ACHEBCHENPC1RAB9A | |
| SCHEMBL533330 | 0.71 | — | — | |
| SCHEMBL534331 | 0.71 | — | — | |
| SCHEMBL8554032 | 0.70 | ACHE (0.36) | PTGS2ACHEBCHENPC1RAB9A | |
| SCHEMBL10252230 | 0.70 | PTGS2 (0.39) | PTGS2ACHEBCHENPC1RAB9A | |
| SCHEMBL5519675 | 0.68 | — | — | |
| SCHEMBL6205340 | 0.68 | SLC6A2 (0.47) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5616711-A | REACTING BUTENE DERIVATIVE TO AN AMIDE DERIVATIVE; USEFUL AS INTERMEDIATES FOR PRODUCING ANTIULCER DRUGS | FUJIREBIO INC. (JP) | 1997-04-01 | — | — | US | claimed |
| EP-0582304-A2 | Methods of producing amino butene derivatives | FUJIREBIO Inc. (JP) | 1994-02-09 | — | — | EP | claimed |
| US-5616711-A | REACTING BUTENE DERIVATIVE TO AN AMIDE DERIVATIVE; USEFUL AS INTERMEDIATES FOR PRODUCING ANTIULCER DRUGS | FUJIREBIO INC. (JP) | 1997-04-01 | — | — | US | disclosed |
| EP-0582304-A2 | Methods of producing amino butene derivatives | FUJIREBIO Inc. (JP) | 1994-02-09 | — | — | EP | disclosed |