Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | FAAH | O00519 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.31 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.31 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.31 |
| ▸ | GABRA3 | P34903 | 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 | |
|---|---|---|---|---|
| SCHEMBL7198339 | 0.86 | CYP1A2 (0.39) | CYP1A2CYP3A4TSHRCYP2C9CYP2C19 | |
| SCHEMBL7206278 | 0.83 | CYP1A2 (0.36) | CYP1A2CYP3A4TSHRCYP2C9CYP2C19 | |
| SCHEMBL6261653 | 0.78 | GABRA1 (0.36) | CYP1A2CYP3A4TSHRFAAHCA1 | |
| Hydrochloric Acid SCHEMBL7927298 | 0.77 | GABRA1 (0.35) | CYP1A2CYP3A4TSHRFAAHCA1 | |
| SCHEMBL16393905 | 0.70 | RXRB (0.33) | — | |
| SCHEMBL7205074 | 0.69 | CYP1A2 (0.39) | CYP1A2CYP3A4TSHRCYP2C9CYP2C19 | |
| SCHEMBL23092058 | 0.69 | HSP90AA1 (0.44) | CYP1A2CYP3A4TSHRCYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL7199635 | 0.69 | RXRB (0.33) | — | |
| SCHEMBL5185850 | 0.68 | — | — | |
| SCHEMBL241470 | 0.68 | HSP90AA1 (0.62) | CYP1A2CYP3A4TSHRCYP2C9CYP2C19 |
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 |