Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.54 |
| ▸ | PKM | P14618 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | CLK1 | P49759 | 1/20 | 0.50 |
| ▸ | CLK2 | P49760 | 1/20 | 0.50 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.50 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.50 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | GLA | P06280 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL28236466 | 0.81 | KDR (0.62) | HTTMAPTNPSR1KDRRAB9A | |
| SCHEMBL1585069 | 0.81 | HTT (0.52) | HTTMAPTGAACYP1A2CYP3A4 | |
| SCHEMBL25310517 | 0.81 | GAA (0.48) | MAPTCLK1CLK2DYRK1ACLK4 | |
| SCHEMBL28137220 | 0.81 | HTT (0.65) | HTTMAPTMEN1KMT2ACYP1A2 | |
| SCHEMBL2087990 | 0.80 | HTT (0.65) | HTTMAPTMEN1KMT2AGAA | |
| SCHEMBL4611494 | 0.79 | HTT (0.64) | HTTMAPTCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL6612663 | 0.78 | ALDH1A1 (0.68) | HTTMAPTCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL5763552 | 0.77 | HTT (0.61) | HTTMAPTCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL4174847 | 0.77 | MAPT (0.56) | HTTMAPTGAANPSR1LMNA | |
| SCHEMBL28000002 | 0.76 | HTT (0.67) | HTTMAPTCYP1A2CYP3A4CYP2D6 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0232328-B1 | ZWITTERIONIC BICYCLIC COMPOUNDS AND THEIR SALTS, SOLVATES, HYDRATES AND ESTERS | SCHERING CORPORATION (US) | 1992-04-15 | — | — | EP | disclosed |
| US-4902693-A | Anti-allergic esters, acetal ethers, thioethers and nitrogen substituted derivatives of bicyclic compounds | SCHERING CORPORATION (US) | 1990-02-20 | — | — | US | disclosed |
| EP-0302303-A2 | Bicyclic compounds, their use as pharmaceuticals, their preparation, and intermediates useful in their preparation | SCHERING CORPORATION (US) | 1989-02-08 | — | — | EP | disclosed |
| US-4794116-A | ANTIINFLAMMATORY AGENTS, CYTOPROTECTIVE AGENTS IN TREATMENT OF HYPERPROLIFERATIVE SKIN DISEASE | SCHERING CORPORATION (US) | 1988-12-27 | — | — | US | disclosed |
| US-4782067-A | Anti-allergic composition containing zwitterionic bicyclic compounds | SCHERING CORPORATION (US) | 1988-11-01 | — | — | US | disclosed |
| EP-0232328-A1 | ZWITTERIONIC BICYCLIC COMPOUNDS AND THEIR SALTS, SOLVATES, HYDRATES AND ESTERS. | SCHERING CORP (US) | 1987-08-19 | — | — | EP | disclosed |
| US-4684727-A | Zwitterionic 1,8-naphthyridine and pyrazino[2,3-b]pyridine containing compounds useful as anti-allergic, anti-inflammatory and cycloprotective agents | SCHERING CORPORATION (US) | 1987-08-04 | — | — | US | disclosed |
| WO-1987000752-A2 | ZWITTERIONIC BICYCLIC COMPOUNDS AND THEIR SALTS, SOLVATES, HYDRATES AND ESTERS | SCHERING CORPORATION (US) | 1987-02-12 | — | — | WO | disclosed |