Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 9/20 | 0.43 |
| ▸ | CA2 | P00918 | 9/20 | 0.43 |
| ▸ | CA9 | Q16790 | 8/20 | 0.43 |
| ▸ | CA12 | O43570 | 3/20 | 0.43 |
| ▸ | CA7 | P43166 | 3/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.43 |
| ▸ | CA3 | P07451 | 2/20 | 0.43 |
| ▸ | CA4 | P22748 | 2/20 | 0.43 |
| ▸ | CA6 | P23280 | 2/20 | 0.43 |
| ▸ | CA5A | P35218 | 2/20 | 0.43 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.43 |
| ▸ | F2 | P00734 | 4/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8711068 | 1.00 | TSHR (0.45) | TSHRMEN1TP53CYP1A2CYP3A4 | |
| SCHEMBL8711030 | 1.00 | TSHR (0.45) | TSHRMEN1TP53CYP1A2CYP3A4 | |
| SCHEMBL8710602 | 1.00 | TSHR (0.45) | TSHRMEN1TP53CYP1A2CYP3A4 | |
| SCHEMBL8714225 | 1.00 | TSHR (0.45) | TSHRMEN1TP53CYP1A2CYP3A4 | |
| SCHEMBL8716517 | 0.98 | TSHR (0.43) | TSHRMEN1TP53CYP1A2CYP3A4 | |
| SCHEMBL8710635 | 0.94 | F2 (0.41) | TSHRMEN1TP53CYP1A2CYP3A4 | |
| SCHEMBL8710607 | 0.87 | HSD11B1 (0.40) | CYP1A2CYP3A4CYP2C19F2CTRC | |
| SCHEMBL16047004 | 0.87 | CA1 (0.48) | TSHRTP53CYP3A4CA1CA2 | |
| SCHEMBL30108982 | 0.83 | RECQL (0.49) | TSHRMEN1TP53CYP3A4KMT2A | |
| SCHEMBL7545491 | 0.83 | CA1 (0.44) | TSHRMEN1TP53CYP1A2CYP3A4 |
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-5717124-A | Process for preparation of oxyglutaric acid ester derivatives | UBE INDUSTRIES, LTD. (JP) | 1998-02-10 | — | — | US | disclosed |