Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | THRB | P10828 | 1/20 | 0.50 |
| ▸ | PTPN7 | P35236 | 4/20 | 0.44 |
| ▸ | HMGCR | P04035 | 2/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 3/20 | 0.39 |
| ▸ | CES1 | P23141 | 3/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL9309385 | 1.00 | TSHR (0.50) | TSHRTHRBPTPN7HMGCRRECQL | |
| SCHEMBL1696132 | 1.00 | TSHR (0.50) | TSHRTHRBPTPN7HMGCRRECQL | |
| SCHEMBL1696121 | 1.00 | TSHR (0.50) | TSHRTHRBPTPN7HMGCRRECQL | |
| SCHEMBL9697065 | 1.00 | TSHR (0.50) | TSHRTHRBPTPN7HMGCRRECQL | |
| SCHEMBL15416 | 1.00 | TSHR (0.50) | TSHRTHRBPTPN7HMGCRRECQL | |
| SCHEMBL120107 | 1.00 | TSHR (0.50) | TSHRTHRBPTPN7HMGCRRECQL | |
| SCHEMBL44157 | 1.00 | — | — | |
| SCHEMBL74679 | 1.00 | TSHR (0.50) | TSHRTHRBPTPN7HMGCRRECQL | |
| SCHEMBL4874844 | 1.00 | TSHR (0.50) | TSHRTHRBPTPN7HMGCRRECQL | |
| SCHEMBL17090795 | 1.00 | TSHR (0.50) | TSHRTHRBPTPN7HMGCRRECQL |
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 |
|---|---|---|---|---|---|---|---|
| US-9673030-B2 | Computer readable storage mediums, methods and systems for normalizing chemical profiles in biological or medical samples detected by mass spectrometry | EMORY UNIVERSITY (US) | 2017-06-06 | — | — | US | disclosed |