Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 4/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.33 |
| ▸ | TTR | P02766 | 1/20 | 0.32 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.31 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| SCHEMBL11907576 | 0.87 | ESR1 (0.49) | ESR1ESR2TP53 | |
| SCHEMBL8459895 | 0.86 | ESR1 (0.39) | ESR1ESR2CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL11485491 | 0.80 | ESR1 (0.40) | ESR1ESR2CA1CA2CYP2C9 | |
| SCHEMBL992397 | 0.80 | ESR1 (0.47) | ESR1ESR2CA1CA2CYP2C9 | |
| SCHEMBL11180556 | 0.77 | GABRA1 (0.39) | ESR1ESR2CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL1596739 | 0.74 | CA1 (0.48) | ESR1ESR2CA1CA2CYP2C9 | |
| SCHEMBL1596134 | 0.74 | CA1 (0.48) | ESR1ESR2CA1CA2CYP2C9 | |
| SCHEMBL673998 | 0.74 | ESR1 (0.54) | ESR1ESR2CA1CA2CYP2C9 | |
| SCHEMBL7972245 | 0.74 | ESR1 (0.54) | ESR1ESR2CA1CA2CYP2C9 | |
| SCHEMBL226013 | 0.73 | ESR1 (0.64) | ESR1ESR2CA1CA2CYP2C9 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5656684-A | Silanes containing oxalamide functional groups and their use as plastics additives | BAYER AG (DE) | 1997-08-12 | — | — | US | disclosed |
| EP-0664316-A1 | Polycarbonate composition having improved resistance to gamma-ray radiation | TEIJIN LIMITED (JP) | 1995-07-26 | — | — | EP | disclosed |
| US-5041521-A | High impact strength, stress releiving, noncracking | BAYER AKTIENGESELLSCHAFT (DE) | 1991-08-20 | — | — | US | disclosed |
| EP-0106082-A1 | Polyphosphates, their preparation and their use | BAYER AG (DE) | 1984-04-25 | — | — | EP | disclosed |