Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | PLAU | P00749 | 2/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | F12 | P00748 | 1/20 | 0.38 |
| ▸ | NCF1 | P14598 | 1/20 | 0.38 |
| ▸ | NOS3 | P29474 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 1/20 | 0.38 |
| ▸ | NOS2 | P35228 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | SORD | Q00796 | 1/20 | 0.36 |
| ▸ | PLG | P00747 | 1/20 | 0.33 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4107863 | 0.71 | MAPT (0.42) | PLAUCYP2A6F12NCF1NOS3 | |
| SCHEMBL29373118 | 0.71 | ACHE (0.49) | ACHEPLAUCYP2A6F12NCF1 | |
| SCHEMBL232662 | 0.71 | ACHE (0.49) | ACHEPLAUCYP2A6F12NCF1 | |
| SCHEMBL2935686 | 0.71 | HPGD (0.41) | ACHEPLAUCYP2A6F12NCF1 | |
| SCHEMBL27373826 | 0.70 | PLAU (0.37) | ACHEPLAUCYP2A6F12NCF1 | |
| Hydrochloric Acid SCHEMBL7823346 | 0.69 | ACHE (0.48) | ACHEPLAUCYP2A6F12NCF1 | |
| Bromide SCHEMBL5146705 | 0.69 | ACHE (0.48) | ACHEPLAUCYP2A6F12NCF1 | |
| SCHEMBL30542089 | 0.69 | ACHE (0.48) | ACHEPLAUCYP2A6F12NCF1 | |
| Bromide SCHEMBL28325156 | 0.69 | ACHE (0.48) | ACHEPLAUCYP2A6F12NCF1 | |
| SCHEMBL1445724 | 0.69 | ADRA2A (0.53) | PLAUCYP2A6F12NCF1NOS3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0154035-B1 | S-TETRAHYDROPROTOBERBERINOXIDASE, PROCESS FOR ITS PREPARATION AND ITS USE | Consortium für elektrochemische Industrie GmbH (DE) | 1990-07-25 | — | — | EP | claimed |
| EP-0888346-B1 | CORALYNE ANALOGS AS TOPOISOMERASE INHIBITORS | UNIV RUTGERS (US) | 2001-06-06 | — | — | EP | disclosed |
| EP-0154035-B1 | S-TETRAHYDROPROTOBERBERINOXIDASE, PROCESS FOR ITS PREPARATION AND ITS USE | Consortium für elektrochemische Industrie GmbH (DE) | 1990-07-25 | — | — | EP | disclosed |
| EP-0154035-A2 | S-tetrahydroprotoberberinoxidase, process for its preparation and its use | Consortium für elektrochemische Industrie GmbH (DE) | 1985-09-11 | — | — | EP | disclosed |