Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | ESR2 | Q92731 | 9/20 | 0.48 |
| ▸ | ESR1 | P03372 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | GMNN | O75496 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CA3 | P07451 | 1/20 | 0.42 |
| ▸ | TYR | P14679 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2063957 | 1.00 | TSHR (0.56) | TSHRESR2ESR1NPC1CYP3A4 | |
| Phenol SCHEMBL2208770 | 0.91 | TSHR (0.67) | TSHRESR2NPC1CYP3A4MAPT | |
| SCHEMBL46155 | 0.86 | TSHR (0.72) | TSHRALOX5 | |
| SCHEMBL7606736 | 0.85 | TSHR (0.59) | TSHRESR2ESR1NPC1CYP3A4 | |
| SCHEMBL14185372 | 0.84 | CHRM2 (0.50) | TSHRESR2NPC1CYP3A4MAPT | |
| SCHEMBL29000962 | 0.80 | ESR2 (0.50) | ESR2ESR1NPC1CYP3A4MAPT | |
| SCHEMBL1696497 | 0.80 | ESR2 (0.42) | ESR2ESR1NPC1CYP3A4MAPT | |
| SCHEMBL12906517 | 0.80 | ESR2 (0.41) | TSHRESR2ESR1NPC1CYP3A4 | |
| SCHEMBL13606167 | 0.80 | ESR2 (0.53) | TSHRESR2ESR1CYP3A4MAPT | |
| SCHEMBL29776949 | 0.78 | KDM1A (0.42) | TSHRESR2ESR1NPC1CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-8148118-B2 | Method of inducing chirality to epoxides using 2,3:4,6 di-O-isopropylidene-2-keto-L-gulonic acid monohydrate | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2012-04-03 | — | — | US | disclosed |
| US-20100136635-A1 | Method of Inducing Chirality to Epoxides Using 2,3:4,6 di-O-isopropylidene-2-keto-L-gulonic Acid Monohydrate | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2010-06-03 | — | — | US | disclosed |