Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.80 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.67 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.59 |
| ▸ | MAPT | P10636 | 2/20 | 0.59 |
| ▸ | MEN1 | O00255 | 1/20 | 0.59 |
| ▸ | USP2 | O75604 | 1/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.59 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.59 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.59 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.59 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.59 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.59 |
| ▸ | CDC25B | P30305 | 2/20 | 0.56 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL3683272 | 1.00 | TSHR (0.80) | TSHRHSD17B10ALDH1A1CYP3A4KMT2A | |
| SCHEMBL3950053 | 0.93 | TSHR (0.69) | TSHRHSD17B10ALDH1A1CYP3A4KMT2A | |
| SCHEMBL8075091 | 0.93 | TSHR (0.69) | TSHRHSD17B10ALDH1A1CYP3A4KMT2A | |
| SCHEMBL5572323 | 0.93 | TSHR (0.69) | TSHRHSD17B10ALDH1A1CYP3A4KMT2A | |
| SCHEMBL4320539 | 0.91 | TSHR (0.67) | TSHRHSD17B10ALDH1A1CYP3A4KMT2A | |
| SCHEMBL16415690 | 0.89 | TSHR (0.65) | TSHRHSD17B10ALDH1A1CYP3A4KMT2A | |
| SCHEMBL5096210 | 0.89 | TSHR (0.65) | TSHRHSD17B10ALDH1A1CYP3A4KMT2A | |
| Diethyl Phthalate SCHEMBL29404255 | 0.89 | TSHR (1.00) | TSHRHSD17B10ALDH1A1CYP3A4KMT2A | |
| Diethyl Phthalate SCHEMBL22296 | 0.89 | TSHR (1.00) | TSHRHSD17B10ALDH1A1CYP3A4KMT2A | |
| Diethyl Phthalate SCHEMBL5306972 | 0.89 | TSHR (1.00) | TSHRHSD17B10ALDH1A1CYP3A4KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-114478563-A | Method for quickly crystallizing isosorbide | 国科温州研究院(温州生物材料与工程研究所) | 2022-05-13 | — | — | CN | claimed |
| CN-114478563-A | Method for quickly crystallizing isosorbide | 国科温州研究院(温州生物材料与工程研究所) | 2022-05-13 | — | — | CN | disclosed |