Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11038317 | 0.89 | CYP3A4 (0.33) | GABRA1GABRB2CYP3A4 | |
| SCHEMBL6831708 | 0.83 | GABRA1 (0.35) | GABRA1GABRB2CYP3A4 | |
| SCHEMBL8762174 | 0.82 | GABRA1 (0.36) | GABRA1GABRB2 | |
| SCHEMBL9576769 | 0.81 | — | — | |
| SCHEMBL8763193 | 0.79 | TRPA1 (0.30) | CYP3A4 | |
| SCHEMBL29483754 | 0.78 | ALDH1A1 (0.34) | GABRA1GABRB2CYP3A4 | |
| SCHEMBL145276 | 0.78 | ALDH1A1 (0.34) | GABRA1GABRB2CYP3A4 | |
| Hexamethylbenzene SCHEMBL28232121 | 0.77 | CYP3A4 (0.38) | CYP3A4 | |
| SCHEMBL6457167 | 0.76 | PARP1 (0.36) | CYP3A4 | |
| SCHEMBL2459722 | 0.76 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0349195-B1 | Direct synthesis by cationic polymerization of nitrogen-containing polymers | EXXON CHEMICAL PATENTS INC (US) | 1997-05-21 | — | — | EP | disclosed |
| US-5629394-A | ENDCAPPING ADDITION POLYMERS WITH NITROGEN FUNCTIONAL GROUPS WHICH CAN BE FURTHER DERIVATIZED | EXXON CHEMICAL PATENTS INC (US) | 1997-05-13 | — | — | US | disclosed |
| US-5444135-A | Polymerization and functionalization with nitrogen-containing functional groups occur simultaneously | EXXON CHEMICAL PATENTS INC. (US) | 1995-08-22 | — | — | US | disclosed |
| US-5336745-A | Terminally-substituted polymeric compositions from cationically polymerizable monomers and initiators | EXXON CHEMICAL PATENTS INC. (US) | 1994-08-09 | — | — | US | disclosed |
| US-5032653-A | Catalysts | EXXON CHEMICAL PATENTS, INC. (US) | 1991-07-16 | — | — | US | disclosed |
| EP-0349195-A2 | Direct synthesis by cationic polymerization of nitrogen-containing polymers | EXXON CHEMICAL PATENTS INC. (US) | 1990-01-03 | — | — | EP | disclosed |