Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 3/20 | 0.37 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
| ▸ | CA6 | P23280 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.32 |
| ▸ | TTR | P02766 | 1/20 | 0.32 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.32 |
| ▸ | SIRT1 | Q96EB6 | 2/20 | 0.31 |
| ▸ | LCK | P06239 | 1/20 | 0.31 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.30 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.30 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.30 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6446902 | 0.75 | LCK (0.40) | ERN1CA1CA2CYP3A4PTPN1 | |
| SCHEMBL3810720 | 0.74 | CYP3A4 (0.42) | ERN1CA1CA2CA4CA6 | |
| SCHEMBL69904 | 0.68 | CA1 (0.67) | AKR1B1CA1CA2CA4CA6 | |
| SCHEMBL1193233 | 0.67 | ERN1 (0.63) | ERN1AKR1B1CA1CA2CA4 | |
| SCHEMBL30689085 | 0.67 | ERN1 (0.63) | ERN1AKR1B1CA1CA2CA4 | |
| SCHEMBL28017537 | 0.66 | CA1 (0.63) | AKR1B1CA1CA2CA4CA6 | |
| SCHEMBL27665819 | 0.65 | ERN1 (0.50) | ERN1TDP1 | |
| SCHEMBL15687993 | 0.64 | SELL (0.34) | ERN1 | |
| SCHEMBL14763782 | 0.63 | GABRA1 (0.31) | GABRA1GABRB1 | |
| SCHEMBL20445898 | 0.63 | PRKDC (0.42) | ERN1TSHRTDP1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009131952-A1 | COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING THIAZOLE DERIVATIVES | INSTITUTE FOR ONEWORLD HEALTH (US) | 2009-10-29 | — | — | WO | disclosed |