Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
| ▸ | HTR7 | P34969 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
| ▸ | CA7 | P43166 | 2/20 | 0.32 |
| ▸ | CA9 | Q16790 | 2/20 | 0.32 |
| ▸ | CD44 | P16070 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | SCN4A | P35499 | 4/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.30 |
| ▸ | CACNG8 | Q8WXS5 | 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 | |
|---|---|---|---|---|
| SCHEMBL7593795 | 0.79 | TAAR1 (0.31) | TAAR1HTR7 | |
| SCHEMBL7027939 | 0.79 | GABRA1 (0.38) | — | |
| SCHEMBL4623136 | 0.76 | PDCD1 (0.40) | HTR7CYP1A2CYP2A6ALDH1A1 | |
| SCHEMBL218448 | 0.76 | CYP2A6 (0.36) | CA1CA2CA7CA9CD44 | |
| SCHEMBL2050326 | 0.74 | CD44 (0.48) | CA1CA2CA7CA9CD44 | |
| SCHEMBL7030492 | 0.72 | DHFR (0.38) | CYP1A2CYP2A6ALDH1A1 | |
| SCHEMBL7107422 | 0.71 | GABRA1 (0.35) | CA1CA2CYP1A2TSHR | |
| SCHEMBL7111668 | 0.70 | — | — | |
| SCHEMBL4622303 | 0.70 | MEN1 (0.35) | CYP1A2ALDH1A1TSHRACHE | |
| SCHEMBL4622964 | 0.69 | CES1 (0.42) | CYP1A2CYP2A6ALDH1A1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-0889059-B1 | Catalyst based on monoazadiene metal complexes | BAYER AG (DE) | 2003-02-12 | — | — | EP | disclosed |
| US-20020052446-A1 | Composition based on monofluorometal complexes | BAYER AKTIENGESELLSCHAFT (DE) | 2002-05-02 | — | — | US | disclosed |
| US-5965678-A | Catalyst system based on monoazadiene metal complexes | BAYER AG (DE) | 1999-10-12 | — | — | US | disclosed |
| EP-0889059-A1 | Catalyst based on monoazadiene metal complexes | BAYER AG (DE) | 1999-01-07 | — | — | EP | disclosed |