Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.44 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.44 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.44 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.44 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | MMP1 | P03956 | 1/20 | 0.42 |
| ▸ | MMP2 | P08253 | 1/20 | 0.42 |
| ▸ | MMP9 | P14780 | 1/20 | 0.42 |
| ▸ | MMP8 | P22894 | 1/20 | 0.42 |
| ▸ | MMP13 | P45452 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2956140 | 0.85 | NPSR1 (0.60) | NPSR1HSD17B10PDK1PDK2PDK3 | |
| SCHEMBL8331183 | 0.85 | NPSR1 (0.60) | NPSR1HSD17B10PDK1PDK2PDK3 | |
| SCHEMBL9336413 | 0.80 | NPSR1 (0.59) | NPSR1HSD17B10KMT2AMEN1ALDH1A1 | |
| SCHEMBL30486812 | 0.80 | NPSR1 (0.59) | NPSR1HSD17B10KMT2AMEN1ALDH1A1 | |
| SCHEMBL419987 | 0.80 | NPSR1 (0.59) | NPSR1HSD17B10KMT2AMEN1ALDH1A1 | |
| SCHEMBL27602261 | 0.79 | NPSR1 (0.58) | NPSR1HSD17B10PDK1PDK2PDK3 | |
| SCHEMBL23929022 | 0.79 | NPSR1 (0.57) | NPSR1HSD17B10KMT2AMEN1ALDH1A1 | |
| SCHEMBL28552981 | 0.79 | NPSR1 (0.57) | NPSR1HSD17B10KMT2AMEN1ALDH1A1 | |
| SCHEMBL2581018 | 0.77 | NPSR1 (0.56) | NPSR1HSD17B10PDK1PDK2PDK3 | |
| SCHEMBL8733188 | 0.77 | NPSR1 (0.56) | NPSR1HSD17B10KMT2AMEN1ALDH1A1 |
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-2002020498-A2 | AN IMPROVED PROCESS FOR THE PREPARATION OF 3,4-DIHYDRO-1,4-BENZOTHIAZINE | DR. REDDY'S RESEARCH FOUNDATION (IN) | 2002-03-14 | — | — | WO | disclosed |