Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.47 |
| ▸ | ADRB1 | P08588 | 4/20 | 0.47 |
| ▸ | ADRB3 | P13945 | 4/20 | 0.47 |
| ▸ | RXRA | P19793 | 2/20 | 0.47 |
| ▸ | RXRB | P28702 | 2/20 | 0.47 |
| ▸ | RXRG | P48443 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA6 | P23280 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | PARP1 | P09874 | 1/20 | 0.43 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL900891 | 1.00 | ESR1 (0.47) | ESR1ESR2ADRB1ADRB3RXRA | |
| SCHEMBL16428923 | 0.88 | PARP1 (0.53) | ADRB1ADRB3RXRARXRBRXRG | |
| Hydrochloric Acid SCHEMBL7131613 | 0.87 | PARP1 (0.52) | ADRB1ADRB3RXRARXRBRXRG | |
| SCHEMBL20718701 | 0.85 | ESR1 (0.47) | ESR1ESR2RXRARXRBRXRG | |
| SCHEMBL28041147 | 0.84 | ESR1 (0.52) | ESR1ESR2ADRB1ADRB3HIF1A | |
| SCHEMBL4601885 | 0.84 | ADRB1 (0.57) | ESR1ESR2ADRB1ADRB3RXRA | |
| SCHEMBL4601882 | 0.84 | ADRB1 (0.57) | ESR1ESR2ADRB1ADRB3RXRA | |
| SCHEMBL10456437 | 0.84 | ESR1 (0.67) | ESR1ESR2ADRB1ADRB3LMNA | |
| SCHEMBL901217 | 0.84 | ADRB1 (0.49) | ADRB1ADRB3RXRARXRBRXRG | |
| SCHEMBL11242012 | 0.81 | ESR1 (0.60) | ESR1ESR2ADRB1ADRB3RXRA |
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 |
|---|---|---|---|---|---|---|---|
| EP-3500627-A1 | ADDUCTS AND USES THEREOF | Huntsman Advanced Materials Americas LLC (US) | 2019-06-26 | — | — | EP | disclosed |
| WO-2018035397-A1 | ADDUCTS AND USES THEREOF | HUNTSMAN ADVANCED MATERIALS AMERICAS LLC (US) | 2018-02-22 | — | — | WO | disclosed |