Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 2/20 | 0.40 |
| ▸ | HSPA5 | P11021 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 3/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| SCHEMBL239232 | 0.73 | ESR1 (0.50) | TSHRALDH1A1ESR1ESR2CYP3A4 | |
| 2-Allylphenol SCHEMBL6561424 | 0.72 | LMNA (0.50) | KEAP1HSPA5TSHRALDH1A1CYP2D6 | |
| SCHEMBL11297258 | 0.72 | KEAP1 (0.39) | KEAP1TSHRALDH1A1ESR1ESR2 | |
| SCHEMBL28794941 | 0.71 | ESR1 (0.58) | KEAP1IDO1HSPA5TSHRALDH1A1 | |
| SCHEMBL8517865 | 0.71 | ALDH1A1 (0.37) | TSHRALDH1A1HTTESR1ESR2 | |
| SCHEMBL8096714 | 0.69 | ESR1 (0.60) | KEAP1IDO1HSPA5ALDH1A1ESR1 | |
| SCHEMBL677567 | 0.68 | ESR1 (0.52) | TSHRALDH1A1HIF1AHTTESR1 | |
| 2-Allylphenol SCHEMBL11838946 | 0.67 | GABRA1 (0.50) | KEAP1IDO1HSPA5TSHRALDH1A1 | |
| 2-Allylphenol SCHEMBL3810253 | 0.67 | GABRA1 (0.50) | KEAP1IDO1HSPA5TSHRALDH1A1 | |
| SCHEMBL7741024 | 0.67 | ALDH1A1 (0.47) | TSHRALDH1A1CYP2D6HIF1AHTT |
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-4321343-A | Polyisobutylene/phenol polymers treated with diisocyanates and poly(oxyalkylene)polyols | W. R. GRACE & CO. (US) | 1982-03-23 | — | — | US | disclosed |
| US-4107144-A | Phenolic antioxidants with polymer tails | CANADIAN PATENTS AND DEVELOPMENT LIMITED (CA) | 1978-08-15 | — | — | US | disclosed |