Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 5/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | THRB | P10828 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL5600043 | 0.88 | BCHE (0.36) | BCHEDRD2ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL6064959 | 0.87 | ALDH1A1 (0.35) | BCHEDRD2ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL6065338 | 0.86 | NOX1 (0.35) | BCHEALDH1A1CYP1A2CYP3A4THRB | |
| SCHEMBL6064248 | 0.85 | BCHE (0.34) | BCHEDRD2ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL6064840 | 0.78 | HSP90AA1 (0.31) | — | |
| SCHEMBL5602633 | 0.74 | MAOA (0.41) | BCHEALDH1A1CYP1A2CYP3A4THRB | |
| SCHEMBL6065398 | 0.74 | NOX1 (0.36) | BCHEKMT2A | |
| SCHEMBL5602981 | 0.73 | ALDH1A1 (0.38) | BCHEDRD2ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL5603800 | 0.72 | BCHE (0.37) | BCHEDRD2ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL6064931 | 0.71 | ALDH1A1 (0.38) | BCHEDRD2ALDH1A1CYP1A2CYP3A4 |
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-1735354-A1 | HETEROCYCLIC SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION | Exxonmobil Chemical Company Inc. (US) | 2006-12-27 | — | — | EP | disclosed |
| WO-2005105864-A1 | HETEROCYCLIC SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2005-11-10 | — | — | WO | disclosed |