Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 5/20 | 0.81 |
| ▸ | CDK4 | P11802 | 2/20 | 0.76 |
| ▸ | CCND1 | P24385 | 2/20 | 0.76 |
| ▸ | CDK2 | P24941 | 2/20 | 0.76 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.76 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.76 |
| ▸ | GSK3A | P49840 | 2/20 | 0.73 |
| ▸ | MEN1 | O00255 | 1/20 | 0.73 |
| ▸ | RGS12 | O14924 | 1/20 | 0.73 |
| ▸ | GMNN | O75496 | 1/20 | 0.73 |
| ▸ | USP2 | O75604 | 1/20 | 0.73 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.73 |
| ▸ | LMNA | P02545 | 1/20 | 0.73 |
| ▸ | TP53 | P04637 | 1/20 | 0.73 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.73 |
| ▸ | CDK1 | P06493 | 1/20 | 0.73 |
| ▸ | POLB | P06746 | 1/20 | 0.73 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.73 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.73 |
| ▸ | MAPT | P10636 | 1/20 | 0.73 |
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 | |
|---|---|---|---|---|
| SCHEMBL6950992 | 0.89 | GSK3B (0.94) | GSK3BCDK4CCND1CDK2CCNE2 | |
| SCHEMBL8161928 | 0.88 | CDK4 (0.74) | GSK3BCDK4CCND1CDK2CCNE2 | |
| SCHEMBL30319849 | 0.87 | CCNE2 (1.00) | GSK3BCDK4CCND1CDK2CCNE2 | |
| SCHEMBL5686048 | 0.87 | CCNE2 (1.00) | GSK3BCDK4CCND1CDK2CCNE2 | |
| SCHEMBL8163218 | 0.87 | GSK3B (0.81) | GSK3BCDK4CCND1CDK2CCNE2 | |
| SCHEMBL8154922 | 0.87 | GSK3B (0.81) | GSK3BCDK4CCND1CDK2CCNE2 | |
| SCHEMBL8166880 | 0.87 | GSK3B (0.81) | GSK3BCDK4CCND1CDK2CCNE2 | |
| SCHEMBL8167369 | 0.86 | GSK3B (0.74) | GSK3BCDK4CCND1CDK2CCNE2 | |
| SCHEMBL8161378 | 0.85 | GSK3B (0.77) | GSK3BCDK4CCND1CDK2CCNE2 | |
| Sb-216763 SCHEMBL30251 | 0.85 | GSK3B (1.00) | GSK3BCDK4CCND1CDK2CCNE2 |
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-RE36736-E | Substituted pyrroles | HOFFMAN-LA ROCHE INC. (US) | 2000-06-13 | — | — | US | disclosed |
| EP-0328026-B1 | SUBSTITUTED PYRROLES | F. HOFFMANN-LA ROCHE AG (CH) | 1993-04-28 | — | — | EP | disclosed |
| US-5057614-A | Antiinflammatory, immunology, bronchodilator agents, cardiovascular disorders | HOFFMANN-LA ROCHE INC. (US) | 1991-10-15 | — | — | US | disclosed |
| EP-0328026-A1 | Substituted pyrroles | F. HOFFMANN-LA ROCHE AG (CH) | 1989-08-16 | — | — | EP | disclosed |