Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 3/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.45 |
| ▸ | ESR1 | P03372 | 2/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.38 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.38 |
| ▸ | GLRA3 | O75311 | 1/20 | 0.38 |
| ▸ | GLRB | P48167 | 1/20 | 0.38 |
| ▸ | TTR | P02766 | 2/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL12526201 | 0.92 | CYP2C9 (0.40) | CYP2C9CYP1A2CYP2D6CYP3A4CYP2B6 | |
| SCHEMBL462695 | 0.86 | CYP2C9 (0.55) | CYP2C9CYP1A2CA1CA2CYP2C19 | |
| Water SCHEMBL18093526 | 0.85 | CYP2C9 (0.53) | CYP2C9CYP1A2CA1CA2CYP2C19 | |
| SCHEMBL17260583 | 0.79 | GABRA1 (0.37) | CYP2C9CYP1A2CYP2D6CYP3A4CYP2B6 | |
| SCHEMBL2860842 | 0.78 | GLRA3 (0.53) | CYP2C9CYP1A2CYP2D6CYP3A4CA1 | |
| SCHEMBL9590024 | 0.78 | TSHR (0.59) | CYP2C9CYP1A2CYP2D6CYP3A4ESR1 | |
| SCHEMBL30567643 | 0.77 | ESR1 (0.61) | ESR1ESR2 | |
| SCHEMBL4204668 | 0.77 | ESR1 (0.61) | ESR1ESR2 | |
| SCHEMBL31011016 | 0.77 | ESR1 (0.61) | ESR1ESR2 | |
| SCHEMBL29156179 | 0.76 | GABRA1 (0.50) | CYP1A2CYP3A4MEN1KMT2AMAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-20140018460-A1 | COMPOSITIONS FOR IMPROVING POLYESTERS | NEXAM CHEMICAL AB (SE) | 2014-01-16 | — | — | US | disclosed |
| US-20140018460-A1 | COMPOSITIONS FOR IMPROVING POLYESTERS | NEXAM CHEMICAL AB (SE) | 2014-01-16 | — | — | US | disclosed |