Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.35 |
| ▸ | BCHE | P06276 | 11/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 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 |
| ▸ | 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 | |
|---|---|---|---|---|
| SCHEMBL5602633 | 0.87 | MAOA (0.41) | NOX1BCHEMAOAKMT2APTGS1 | |
| SCHEMBL6064959 | 0.87 | ALDH1A1 (0.35) | NOX1BCHEKMT2AMEN1ACHE | |
| SCHEMBL6064976 | 0.86 | BCHE (0.33) | BCHEKMT2AALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL6065398 | 0.81 | NOX1 (0.36) | NOX1BCHEMAOAKMT2AMEN1 | |
| SCHEMBL6064840 | 0.80 | HSP90AA1 (0.31) | — | |
| SCHEMBL6064931 | 0.76 | ALDH1A1 (0.38) | NOX1BCHEKMT2AMEN1ACHE | |
| SCHEMBL6064248 | 0.76 | BCHE (0.34) | NOX1BCHEKMT2AALDH1A1CYP1A2 | |
| SCHEMBL5602981 | 0.71 | ALDH1A1 (0.38) | BCHEMAOAKMT2AMEN1ACHE | |
| SCHEMBL5600043 | 0.71 | BCHE (0.36) | NOX1BCHEMAOAKMT2AMEN1 | |
| SCHEMBL6064252 | 0.70 | HSP90AA1 (0.33) | — |
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 |