Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.32 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.32 |
| ▸ | TAS1R2 | Q8TE23 | 2/20 | 0.32 |
| ▸ | PPARG | P37231 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1962586 | 0.80 | SLC6A2 (0.33) | CYP3A4CYP2C19SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL20102176 | 0.78 | TSHR (0.35) | TSHRHPGDNPSR1MCOLN3ALDH1A1 | |
| SCHEMBL27653319 | 0.78 | TSHR (0.41) | TSHRALDH1A1KDM4ECYP3A4CYP2C19 | |
| SCHEMBL13406762 | 0.74 | L3MBTL1 (0.35) | ALDH1A1KDM4ESLC6A2SLC6A4SLC6A3 | |
| SCHEMBL28599082 | 0.73 | RAPGEF4 (0.36) | ALDH1A1KDM4ECYP3A4CYP2C19SLC6A2 | |
| SCHEMBL16308869 | 0.72 | LMNA (0.41) | TSHRNPSR1ALDH1A1SLC6A2LMNA | |
| SCHEMBL21342588 | 0.72 | HTT (0.42) | HPGDALDH1A1KDM4EACHELMNA | |
| SCHEMBL334408 | 0.71 | TSHR (0.34) | TSHRHPGDALDH1A1KDM4ECYP3A4 | |
| SCHEMBL14490811 | 0.70 | ALDH1A1 (0.38) | HPGDNPSR1MCOLN3ALDH1A1KDM4E | |
| SCHEMBL31607962 | 0.69 | LMNA (0.47) | TSHRALDH1A1CYP3A4ACHELMNA |
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-1780822-A | Use of derivatives of 2, 4-dihydro- 1,2,4 triazole-3-thione as inhibitors of the enzyme myeloperoxidase (MPO) | ASTRAZENECA AB (SE) | 2006-05-31 | — | — | CN | disclosed |