Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | HSPA5 | P11021 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7199210 | 0.87 | HSP90AA1 (0.35) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL6682690 | 0.76 | HSP90AA1 (0.32) | HSP90AA1 | |
| SCHEMBL8613245 | 0.71 | HTR6 (0.35) | CYP1A2 | |
| SCHEMBL14327784 | 0.71 | HSP90AA1 (0.48) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 | |
| Hydrochloric Acid SCHEMBL4078644 | 0.70 | HTR6 (0.34) | CYP1A2 | |
| SCHEMBL17500077 | 0.69 | HSP90AA1 (0.49) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL7205074 | 0.67 | CYP1A2 (0.39) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL23092058 | 0.67 | HSP90AA1 (0.44) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 | |
| Hydrochloric Acid SCHEMBL5612566 | 0.66 | HTR6 (0.32) | CYP1A2 | |
| SCHEMBL27504508 | 0.65 | CYP3A4 (0.43) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1294734-A1 | METHOD FOR THE SELECTIVE PRODUCTION OF RACEMIC METALLOCENE COMPLEXES | Basell Polyolefine GmbH (DE) | 2003-03-26 | — | — | EP | disclosed |
| WO-2002000672-A1 | METHOD FOR THE SELECTIVE PRODUCTION OF RACEMIC METALLOCENE COMPLEXES | BASELL POLYOLEFINE GMBH (DE) | 2002-01-03 | — | — | WO | disclosed |