Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.89 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.89 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | CA3 | P07451 | 1/20 | 0.48 |
| ▸ | CA6 | P23280 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.48 |
| ▸ | ACHE | P22303 | 2/20 | 0.46 |
| ▸ | BCHE | P06276 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | AR | P10275 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | KIF11 | P52732 | 1/20 | 0.43 |
| ▸ | GRM5 | P41594 | 1/20 | 0.43 |
| ▸ | MMP3 | P08254 | 1/20 | 0.42 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL27329500 | 0.94 | CYP2A6 (1.00) | CYP2A6ALDH1A1CA12CA2CA3 | |
| SCHEMBL46818 | 0.94 | — | — | |
| P-Xylene SCHEMBL3926102 | 0.94 | CYP2A6 (1.00) | CYP2A6ALDH1A1CA12CA2CA3 | |
| SCHEMBL28089251 | 0.92 | CYP2A6 (0.94) | CYP2A6ALDH1A1CA12CA2CA3 | |
| SCHEMBL12377032 | 0.86 | CYP2A6 (0.84) | CYP2A6ALDH1A1CA12CA2CA3 | |
| Water SCHEMBL28512959 | 0.86 | CYP2A6 (0.84) | CYP2A6ALDH1A1CA12CA2CA3 | |
| SCHEMBL16104527 | 0.86 | CYP2A6 (0.84) | CYP2A6ALDH1A1CA12CA2CA3 | |
| SCHEMBL91813 | 0.86 | CYP2A6 (0.84) | CYP2A6ALDH1A1CA12CA2CA3 | |
| Benzonitrile SCHEMBL2153877 | 0.84 | ALDH1A1 (0.80) | CYP2A6ALDH1A1CA12CA2CA3 | |
| Trimethylammonium SCHEMBL22264992 | 0.84 | CYP2A6 (0.80) | CYP2A6ALDH1A1CA12CA2CA3 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0952997-B1 | POLYMERIZATION OF OLEFINS | DU PONT (US) | 2004-08-11 | — | — | EP | disclosed |
| US-6613915-B1 | Nickel (II) complexes of certain monoanionic bidentate ligands; pyrrole-2-imine ligand intermediate | E. I. DU PONT DE NEMOURS AND COMPANY | 2003-09-02 | — | — | US | disclosed |
| US-6174975-B1 | ADDITION POLYMERIZATION, CATALYSTS AND COORDINATION COMPOUNDS | E.I. DU PONT DE NEMOURS AND COMPANY | 2001-01-16 | — | — | US | disclosed |
| EP-0952997-A1 | POLYMERIZATION OF OLEFINS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1999-11-03 | — | — | EP | disclosed |
| WO-1998030609-A1 | POLYMERIZATION OF OLEFINS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1998-07-16 | — | — | WO | disclosed |