Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | AKR1B10 | O60218 | 3/20 | 0.33 |
| ▸ | AKR1B1 | P15121 | 3/20 | 0.33 |
| ▸ | PPARA | Q07869 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9487209 | 0.85 | TSHR (0.40) | TSHRALDH1A1CYP3A4THRBHPGD | |
| SCHEMBL27812824 | 0.85 | TSHR (0.40) | TSHRALDH1A1CYP3A4THRBHPGD | |
| SCHEMBL9487489 | 0.85 | TSHR (0.40) | TSHRALDH1A1CYP3A4THRBHPGD | |
| SCHEMBL27812818 | 0.74 | CYP3A4 (0.36) | TSHRALDH1A1CYP3A4THRB | |
| SCHEMBL8323405 | 0.74 | TRPA1 (0.38) | ALDH1A1CYP3A4HPGDTDP1MEN1 | |
| SCHEMBL28981029 | 0.73 | TSHR (0.35) | TSHRALDH1A1CYP3A4THRBHPGD | |
| SCHEMBL7858028 | 0.72 | PTPN1 (0.32) | ALDH1A1THRBAKR1B10AKR1B1TDP1 | |
| SCHEMBL8746286 | 0.72 | HDAC3 (0.33) | TDP1 | |
| SCHEMBL8369044 | 0.71 | GAA (0.34) | ALDH1A1KMT2A | |
| SCHEMBL9488784 | 0.71 | TSHR (0.33) | TSHRALDH1A1CYP3A4THRBHPGD |
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 |
|---|---|---|---|---|---|---|---|
| CN-1556812-A | Isosorbide derivatives | 皇家飞利浦电子股份有限公司 | 2004-12-22 | — | — | CN | disclosed |