Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.51 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.51 |
| ▸ | CA12 | O43570 | 5/20 | 0.48 |
| ▸ | CA1 | P00915 | 5/20 | 0.48 |
| ▸ | CA2 | P00918 | 5/20 | 0.48 |
| ▸ | CA7 | P43166 | 5/20 | 0.48 |
| ▸ | CA9 | Q16790 | 5/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 5/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.43 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | APP | P05067 | 1/20 | 0.40 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.40 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | MYC | P01106 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4776570 | 0.88 | ALDH1A1 (0.56) | ESR1ESR2CA12CA1CA2 | |
| SCHEMBL21695846 | 0.86 | CA12 (0.47) | ESR1ESR2CA12CA1CA2 | |
| SCHEMBL9845116 | 0.83 | CA12 (0.49) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8235269 | 0.82 | ESR1 (0.48) | ESR1ESR2CA12CA1CA2 | |
| SCHEMBL27051909 | 0.81 | ESR1 (0.53) | ESR1ESR2CA12CA1CA2 | |
| SCHEMBL901018 | 0.78 | ALDH1A1 (0.65) | ESR1ESR2CA12CA1CA2 | |
| SCHEMBL1134227 | 0.77 | KDM4E (0.58) | ESR1ALDH1A1TSHRPTGS2KDM4E | |
| SCHEMBL10337047 | 0.77 | KDM4E (0.58) | ESR1ALDH1A1TSHRPTGS2KDM4E | |
| SCHEMBL25356108 | 0.76 | ESR2 (0.59) | ESR1ESR2CA12CA1CA2 | |
| SCHEMBL9346660 | 0.75 | ALDH1A1 (0.52) | ESR1ESR2CA12CA1CA2 |
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-20030162866-A1 | Compositions based on phenolic derivatives and their use as mineral binder additives | RHODIA CHIMIE (FR) | 2003-08-28 | — | — | US | claimed |
| US-20030162866-A1 | Compositions based on phenolic derivatives and their use as mineral binder additives | RHODIA CHIMIE (FR) | 2003-08-28 | — | — | US | disclosed |