Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | CA5A | P35218 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1985446 | 0.92 | MEN1 (0.48) | TSHRALDH1A1POLBHSD11B1CYP19A1 | |
| SCHEMBL1981967 | 0.85 | VCAM1 (0.41) | TSHRALDH1A1POLBGAAMAPT | |
| SCHEMBL1981965 | 0.81 | PTPRC (0.51) | TSHRALDH1A1POLBCES1MAPT | |
| SCHEMBL335896 | 0.76 | TSHR (0.49) | TSHRALDH1A1POLBHSD11B1CYP19A1 | |
| SCHEMBL4404511 | 0.76 | TSHR (0.49) | TSHRALDH1A1POLBHSD11B1CYP19A1 | |
| SCHEMBL13401464 | 0.76 | ALDH1A1 (0.49) | TSHRALDH1A1POLBHSD11B1CYP19A1 | |
| SCHEMBL14958565 | 0.76 | ALDH1A1 (0.47) | TSHRALDH1A1POLBHSD11B1CYP19A1 | |
| SCHEMBL9733853 | 0.76 | CES1 (0.49) | TSHRALDH1A1POLBCA1CA2 | |
| SCHEMBL1987767 | 0.75 | VCAM1 (0.46) | ALDH1A1POLBMAPT | |
| Ethylene Glycol SCHEMBL28236042 | 0.74 | TSHR (0.71) | TSHRALDH1A1POLBCA1CA2 |
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-2337781-A2 | ANTI-VIRAL COMPOUNDS TO TREAT HCV INFECTION | Abbott Laboratories (US) | 2011-06-29 | — | — | EP | disclosed |
| WO-2010144646-A2 | ANTI-VIRAL COMPOUNDS | ABBOTT LABORATORIES (US) | 2010-12-16 | — | — | WO | disclosed |