Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.30 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7568780 | 0.90 | CYP1A2 (0.36) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL7565106 | 0.87 | KDM4E (0.33) | — | |
| SCHEMBL7566516 | 0.86 | — | — | |
| SCHEMBL5953054 | 0.85 | ADRA1A (0.32) | — | |
| SCHEMBL7566841 | 0.85 | KDR (0.31) | — | |
| Hydrochloric Acid SCHEMBL7566863 | 0.83 | CYP1A2 (0.32) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL5951101 | 0.79 | — | — | |
| SCHEMBL7564070 | 0.77 | GABRG2 (0.32) | — | |
| SCHEMBL7571571 | 0.77 | KDM4E (0.30) | — | |
| SCHEMBL5951112 | 0.76 | KDM4E (0.31) | — |
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-5840947-A | Organometallic compound | TARGOR GMBH (DE) | 1998-11-24 | — | — | US | claimed |
| EP-0743317-B1 | Metallocenes comprising a heterocycle and catalysts containing them | BASELL POLYOLEFINE GMBH (DE) | 2002-08-28 | — | — | EP | disclosed |
| US-5840947-A | Organometallic compound | TARGOR GMBH (DE) | 1998-11-24 | — | — | US | disclosed |
| EP-0743317-A2 | Metallocenes comprising a heterocycle and catalysts containing them | HOECHST AKTIENGESELLSCHAFT (DE) | 1996-11-20 | — | — | EP | disclosed |