Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 14/20 | 0.53 |
| ▸ | NR1H3 | Q13133 | 15/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.44 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9644838 | 0.93 | NR1H3 (0.48) | NR1H2NR1H3ALDH1A1TSHRNR1I2 | |
| SCHEMBL542694 | 0.87 | NR1H3 (0.63) | NR1H2NR1H3ALDH1A1TSHR | |
| SCHEMBL2864482 | 0.87 | NR1H3 (0.57) | NR1H2NR1H3ALDH1A1TSHRPTPN1 | |
| Water SCHEMBL29107396 | 0.85 | NR1H3 (0.61) | NR1H2NR1H3ALDH1A1TSHR | |
| SCHEMBL27702343 | 0.85 | NR1H3 (0.61) | NR1H2NR1H3ALDH1A1TSHR | |
| SCHEMBL16886228 | 0.81 | NR1H3 (0.57) | NR1H2NR1H3ALDH1A1TSHR | |
| SCHEMBL23149896 | 0.79 | NR1H3 (0.50) | NR1H2NR1H3ALDH1A1TSHRPTPN1 | |
| SCHEMBL26082774 | 0.79 | NR1H3 (0.55) | NR1H2NR1H3ALDH1A1TSHR | |
| SCHEMBL3378017 | 0.78 | TSHR (0.48) | NR1H2NR1H3ALDH1A1TSHRPTPN1 | |
| SCHEMBL2228773 | 0.78 | TSHR (0.48) | NR1H2NR1H3ALDH1A1TSHRNR1I2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7160449-B2 | Proline chiral columns with broad chiral selectivity | VANDERBILT UNIVERSITY (US) | 2007-01-09 | — | — | US | disclosed |
| US-7141160-B2 | Chiral columns with broad chiral selectivity | V{dot over (a)}nderbilt University (US) | 2006-11-28 | — | — | US | disclosed |
| US-20050092686-A1 | Proline chiral columns with broad chiral selectivity | LI, TINGYU | 2005-05-05 | — | — | US | disclosed |
| EP-0302331-B1 | ESTERS OF ARYLBISPERFLUORALKYLCARBINOLS, METHOD FOR THE PREPARATION OF THE SAME AND OF THE ARYLBISPERFLUORALKYLCARBINOLS IN QUESTION | HOECHST AKTIENGESELLSCHAFT (DE) | 1992-09-16 | — | — | EP | disclosed |
| US-5017719-A | Esterification | HOECHST AKTIENGESELLSCHAFT (DE) | 1991-05-21 | — | — | US | disclosed |
| EP-0302331-A2 | Esters of arylbisperfluoralkylcarbinols, method for the preparation of the same and of the arylbisperfluoralkylcarbinols in question | HOECHST AKTIENGESELLSCHAFT (DE) | 1989-02-08 | — | — | EP | disclosed |