Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 5/20 | 0.65 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CSNK2A1 | P68400 | 2/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29422942 | 0.98 | AHR (0.68) | AHRCYP2A6CYP3A4CSNK2A1HSP90AA1 | |
| SCHEMBL404196 | 0.98 | AHR (0.68) | AHRCYP2A6CYP3A4CSNK2A1HSP90AA1 | |
| Methane SCHEMBL27372843 | 0.95 | AHR (0.65) | AHRCYP2A6CYP3A4CSNK2A1HSP90AA1 | |
| Water SCHEMBL11700413 | 0.95 | AHR (0.65) | AHRCYP2A6CYP3A4CSNK2A1HSP90AA1 | |
| Phenol SCHEMBL28024449 | 0.88 | AHR (0.57) | AHRCYP2A6CYP3A4HSP90AA1MEN1 | |
| SCHEMBL27813021 | 0.88 | AHR (0.57) | AHRCYP2A6CYP3A4CSNK2A1HSP90AA1 | |
| Hexane SCHEMBL27651951 | 0.85 | AHR (0.53) | AHRCYP2A6CSNK2A1 | |
| SCHEMBL2277002 | 0.79 | AHR (1.00) | AHRCYP2A6CYP3A4HSP90AA1CYP1A2 | |
| SCHEMBL6942285 | 0.79 | AHR (1.00) | AHRCYP2A6CYP3A4HSP90AA1CYP1A2 | |
| SCHEMBL29400074 | 0.79 | AHR (1.00) | AHRCYP2A6CYP3A4HSP90AA1CYP1A2 |
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-0187640-B1 | FLAME RETARDANT POLYCARBONATE COMPOSITIONS | GENERAL ELECTRIC COMPANY (US) | 1989-10-18 | — | — | EP | disclosed |
| US-3971756-A | SILOXANE, ORGANIC ALKALI OR ALKALINE EARTH SALTS | GENERAL ELECTRIC COMPANY (US) | 1976-07-27 | — | — | US | disclosed |