Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 5/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | HTR1A | P08908 | 2/20 | 0.46 |
| ▸ | THPO | P40225 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | NMUR2 | Q9GZQ4 | 1/20 | 0.46 |
| ▸ | HTR3A | P46098 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.44 |
| ▸ | APEX1 | P27695 | 1/20 | 0.44 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL12087597 | 0.87 | HIF1A (0.52) | ESR1TAAR1TDP1HIF1AKDM4E | |
| SCHEMBL27555697 | 0.87 | HIF1A (0.52) | ESR1TAAR1TDP1HIF1AKDM4E | |
| SCHEMBL27981045 | 0.87 | HIF1A (0.52) | ESR1TAAR1TDP1HIF1AKDM4E | |
| SCHEMBL4860981 | 0.87 | HIF1A (0.52) | ESR1TAAR1TDP1HIF1AKDM4E | |
| SCHEMBL10457370 | 0.87 | HIF1A (0.52) | ESR1TAAR1TDP1HIF1AKDM4E | |
| SCHEMBL9121212 | 0.85 | TAAR1 (0.52) | ESR1ESR2TAAR1TDP1HIF1A | |
| SCHEMBL1917704 | 0.85 | TAAR1 (0.56) | ESR1ESR2TAAR1TDP1HIF1A | |
| SCHEMBL4625231 | 0.83 | TAAR1 (0.54) | ESR1ESR2TAAR1TDP1HIF1A | |
| SCHEMBL7066863 | 0.82 | TAAR1 (0.62) | ESR1ESR2TAAR1TDP1HIF1A | |
| SCHEMBL22034389 | 0.82 | HIF1A (0.47) | ESR1TAAR1TDP1HIF1AKDM4E |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6037444-A | COMPOUND OR POLYMER HAVING THIOL, HYDROXY, AMINO OR CARBOXYLIC GROUP IS REACTED WITH A COMPOUND COMPRISING AT LEAST TWO FUNCTIONAL GROUPS SELECTED FROM HYDROXYL, THIOL, AMINO AND CARBOXYLIC ACID GROUPS WHICH FUNCTIONAL GROUPS | COURTAULDS COATINGS (HOLDINGS) LIMITED (GB) | 2000-03-14 | — | — | US | disclosed |