Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TBXAS1 | P24557 | 3/20 | 0.53 |
| ▸ | ESR1 | P03372 | 3/20 | 0.46 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.46 |
| ▸ | TACR2 | P21452 | 2/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | SHBG | P04278 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.46 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.46 |
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | TST | Q16762 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL8309447 | 0.97 | TBXAS1 (0.49) | TBXAS1ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL11411805 | 0.89 | ESR1 (0.52) | TBXAS1ESR1ADRA2ASLC6A2KDM4E | |
| SCHEMBL4642035 | 0.86 | TBXAS1 (0.53) | TBXAS1LMNATERTALOX15TAAR1 | |
| SCHEMBL15121693 | 0.82 | TAAR1 (0.65) | TBXAS1LMNATERTTAAR1 | |
| SCHEMBL8200191 | 0.82 | TBXAS1 (0.51) | TBXAS1LMNACYP3A4TERTALOX15 | |
| Hydrochloric Acid SCHEMBL3647287 | 0.81 | TBXAS1 (0.50) | TBXAS1LMNATERTALOX15TAAR1 | |
| SCHEMBL3431746 | 0.81 | TBXAS1 (0.66) | TBXAS1ADRA2AALDH1A1ADRA2BADRA2C | |
| SCHEMBL2942858 | 0.81 | TAAR1 (0.62) | TBXAS1LMNATERTTAAR1 | |
| SCHEMBL6323409 | 0.80 | TAAR1 (0.67) | ESR1ADRA2AADRA2BADRA2CALOX15 | |
| SCHEMBL28140088 | 0.79 | TBXAS1 (0.48) | TBXAS1ESR1ADRA2AADORA3TACR2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1725549-A1 | PENTAFLUOROSULFANYL COMPOUNDS, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS | F.HOFFMANN-LA ROCHE AG (CH) | 2006-11-29 | — | — | EP | disclosed |
| EP-1725551-A1 | OXIDIZED THIOETHER DERIVATIVES OF STYRYL-AZOLES AND THEIR USE AS HER TYROSINE KINASES INHIBITORS | F.HOFFMANN-LA ROCHE AG (CH) | 2006-11-29 | — | — | EP | disclosed |
| WO-2005095393-A1 | OXIDIZED THIOETHER DERIVATIVES OF STYRYL-AZOLES AND THEIR USE AS HER TYROSINE KINASES INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2005-10-13 | — | — | WO | disclosed |
| WO-2005095388-A1 | PENTAFLUOROSULFANYL COMPOUNDS, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS | F. HOFFMANN-LA ROCHE AG (CH) | 2005-10-13 | — | — | WO | disclosed |