Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.47 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.47 |
| ▸ | CDC25B | P30305 | 1/20 | 0.47 |
| ▸ | PPARG | P37231 | 1/20 | 0.46 |
| ▸ | PPARD | Q03181 | 1/20 | 0.46 |
| ▸ | PPARA | Q07869 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL4734723 | 0.87 | TSHR (0.54) | TSHRALDH1A1NPSR1L3MBTL1HPGD | |
| SCHEMBL28547104 | 0.86 | TSHR (0.54) | TSHRALDH1A1HPGDSMN1; SMN2CYP4F2 | |
| SCHEMBL5310985 | 0.84 | AKR1C3 (0.56) | ALDH1A1NPSR1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL29619268 | 0.84 | TSHR (0.75) | TSHRALDH1A1NPSR1CYP1A2CYP3A4 | |
| SCHEMBL195278 | 0.84 | TSHR (0.75) | TSHRALDH1A1NPSR1CYP1A2CYP3A4 | |
| SCHEMBL4627095 | 0.84 | TSHR (0.62) | TSHRALDH1A1L3MBTL1CYP4F2CYP4A11 | |
| SCHEMBL5609240 | 0.83 | TSHR (0.58) | TSHRALDH1A1NPSR1HPGDSMN1; SMN2 | |
| SCHEMBL29121130 | 0.83 | TSHR (0.68) | TSHRALDH1A1NPSR1CYP1A2CYP3A4 | |
| SCHEMBL11231215 | 0.81 | SRD5A2 (0.59) | ALDH1A1CYP2C9HPGDPTGS2SMN1; SMN2 | |
| SCHEMBL27476186 | 0.81 | KDM4E (0.62) | ALDH1A1PTGS2CDC25BPPARGPPARD |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008060844-A1 | POLYMERIZATION INHIBITOR COMPOSITIONS, THEIR PREPARATION, AND THEIR USE | ALBEMARLE CORPORATION (US) | 2008-05-22 | — | — | WO | disclosed |