Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | G6PD | P11413 | 2/20 | 0.57 |
| ▸ | LIG1 | P18858 | 2/20 | 0.55 |
| ▸ | LIG3 | P49916 | 1/20 | 0.55 |
| ▸ | LIG4 | P49917 | 1/20 | 0.55 |
| ▸ | CDK1 | P06493 | 1/20 | 0.48 |
| ▸ | TPI1 | P60174 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 5/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | GLA | P06280 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 2/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.40 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4407466 | 1.00 | G6PD (0.57) | G6PDLIG1LIG3LIG4CDK1 | |
| SCHEMBL7443806 | 0.80 | G6PD (0.53) | G6PDLIG1LIG3LIG4GAA | |
| SCHEMBL7443811 | 0.80 | G6PD (0.53) | G6PDLIG1LIG3LIG4GAA | |
| SCHEMBL4379825 | 0.77 | ALDH1A1 (0.47) | G6PDLIG1LIG3LIG4CDK1 | |
| SCHEMBL4379829 | 0.77 | ALDH1A1 (0.47) | G6PDLIG1LIG3LIG4CDK1 | |
| SCHEMBL1946777 | 0.74 | ALDH1A1 (0.50) | CDK1TPI1KDM4ESMN1; SMN2ALDH1A1 | |
| SCHEMBL22105776 | 0.69 | G6PD (0.53) | G6PDLIG1LIG3LIG4CDK1 | |
| SCHEMBL7435188 | 0.65 | GAA (0.52) | GAAKDM4ESMN1; SMN2ALDH1A1LMNA | |
| SCHEMBL21946635 | 0.64 | G6PD (0.68) | G6PDLIG1LIG3LIG4CDK1 | |
| SCHEMBL1943938 | 0.64 | MEN1 (0.43) | G6PDGAAKDM4EALDH1A1LMNA |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5939419-A | HYPOTENSIVE AGENTS AND BRONCHODILATOR AGENTS | SCHERING-PLOUGH CORPORATION (US) | 1999-08-17 | — | — | US | disclosed |
| EP-0538332-B1 | POLYCYCLIC GUANINE DERIVATIVES | SCHERING CORP (US) | 1997-07-23 | — | — | EP | disclosed |
| EP-0686157-A1 | 2-BENZYL-POLYCYCLIC GUANINE DERIVATIVES AND PROCESS FOR PREPARING THEM | SCHERING CORPORATION (US) | 1995-12-13 | — | — | EP | disclosed |
| US-5393755-A | Hypotensive agents, enzyme inhibitors | SCHERING CORPORATION (US) | 1995-02-28 | — | — | US | disclosed |
| WO-1994019351-A1 | 2-BENZYL-POLYCYCLIC GUANINE DERIVATIVES AND PROCESS FOR PREPARING THEM | SCHERING CORPORATION (US) | 1994-09-01 | — | — | WO | disclosed |
| WO-1991019717-A1 | POLYCYCLIC GUANINE DERIVATIVES | SCHERING CORPORATION (US) | 1991-12-26 | — | — | WO | disclosed |