Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.56 |
| ▸ | HTT | P42858 | 2/20 | 0.54 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.54 |
| ▸ | MAPT | P10636 | 2/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | CFTR | P13569 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL2389931 | 0.86 | HSP90AA1 (0.58) | SLC6A3HTTHSP90AA1MAPTNPSR1 | |
| SCHEMBL6043498 | 0.85 | MAPT (0.60) | SLC6A3HTTHSP90AA1MAPTNPSR1 | |
| SCHEMBL1989129 | 0.84 | HCRTR1 (0.65) | SLC6A3HTTHSP90AA1MAPTNPSR1 | |
| SCHEMBL28136228 | 0.84 | SLC6A3 (0.57) | SLC6A3HTTHSP90AA1MAPTNPSR1 | |
| SCHEMBL30553984 | 0.84 | HCRTR1 (0.65) | SLC6A3HTTHSP90AA1MAPTNPSR1 | |
| SCHEMBL4385291 | 0.84 | SLC6A3 (0.57) | SLC6A3HTTHSP90AA1MAPTNPSR1 | |
| SCHEMBL16674272 | 0.83 | TSHR (0.65) | HTTMAPTKMT2AALDH1A1TSHR | |
| SCHEMBL8399356 | 0.82 | ALDH1A1 (0.59) | SLC6A3HTTHSP90AA1MAPTNPSR1 | |
| SCHEMBL2005183 | 0.82 | SLC6A3 (0.56) | SLC6A3HTTHSP90AA1MAPTNPSR1 | |
| SCHEMBL2290004 | 0.82 | SLC6A3 (0.56) | SLC6A3HTTHSP90AA1MAPTNPSR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105121427-B | Pyridine radicals and condensed pyridine base triazolone derivative | 武田药品工业株式会社 | 2018-04-10 | — | — | CN | disclosed |
| CN-105121427-A | Pyridinyl and fused pyridinyl triazolone derivatives | TAKEDA PHARMACEUTICAL | 2015-12-02 | — | — | CN | disclosed |
| CN-105051048-A | 1-hydroxy-benzoxaboroles as antiparasitic agents | LILLY CO ELI | 2015-11-11 | — | — | CN | disclosed |