Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 9/20 | 0.52 |
| ▸ | ESR2 | Q92731 | 8/20 | 0.52 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.52 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 4/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | THPO | P40225 | 2/20 | 0.50 |
| ▸ | BLM | P54132 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | GMNN | O75496 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL10767877 | 0.89 | IDO1 (0.52) | ESR1ESR2PDCD1CD274ALOX15 | |
| SCHEMBL14033913 | 0.89 | MAPK1 (0.48) | ESR1ESR2PDCD1CD274ALOX15 | |
| SCHEMBL1257866 | 0.81 | ESR1 (0.52) | ESR1ESR2PDCD1CD274ALOX15 | |
| SCHEMBL11510894 | 0.77 | ESR1 (0.48) | ESR1ESR2PDCD1CD274ALOX15 | |
| SCHEMBL9855138 | 0.77 | TDP1 (0.59) | ESR1ESR2PDCD1CD274ALOX15 | |
| SCHEMBL677814 | 0.77 | ESR1 (0.62) | ESR1ESR2PDCD1CD274ALOX15 | |
| SCHEMBL21380598 | 0.77 | GABRA1 (0.45) | ESR1ESR2PDCD1CD274ALOX15 | |
| SCHEMBL8580685 | 0.75 | ESR1 (0.65) | ESR1ESR2PDCD1CD274ALOX15 | |
| SCHEMBL216712 | 0.73 | ESR1 (0.58) | ESR1ESR2PDCD1CD274ALOX15 | |
| SCHEMBL31274990 | 0.73 | ESR1 (0.58) | ESR1ESR2PDCD1CD274ALOX15 |
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-20190292362-A1 | Catalytically Active Radical Scavengers Based on Benzylic and Allylic Functionalities | HOLLAND NOVOCHEM TECHNICAL COATINGS B.V. (NL) | 2019-09-26 | — | — | US | disclosed |
| CN-109790323-A | Catalytically active radical scavengers based on benzyl and allyl functional groups | 荷兰诺沃赫姆技术涂料私人有限公司 | 2019-05-21 | — | — | CN | disclosed |