Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.63 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | CYP26A1 | O43174 | 2/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9199550 | 0.83 | KMT2A (0.64) | KMT2AHSP90AA1ALDH1A1NPSR1MEN1 | |
| SCHEMBL11145904 | 0.77 | HSP90AA1 (0.41) | KMT2AHSP90AA1CYP26A1CYP19A1CYP1A2 | |
| Bromide SCHEMBL5880713 | 0.71 | GSK3B (0.57) | CYP19A1CYP3A4CYP2C19 | |
| SCHEMBL11148526 | 0.70 | MAPT (0.36) | KMT2AHSP90AA1CYP26A1CYP19A1CYP1A2 | |
| SCHEMBL6227295 | 0.70 | CYP19A1 (0.51) | KMT2AHSP90AA1ALDH1A1MEN1CYP26A1 | |
| SCHEMBL10712303 | 0.70 | HSP90AA1 (0.46) | KMT2AHSP90AA1CYP26A1CYP19A1CYP1A2 | |
| SCHEMBL10361474 | 0.70 | HSP90AA1 (0.49) | KMT2AHSP90AA1CYP26A1CYP19A1PDE4B | |
| SCHEMBL10709431 | 0.70 | HSP90AA1 (0.49) | KMT2AHSP90AA1ALDH1A1CYP26A1CYP19A1 | |
| SCHEMBL9841086 | 0.69 | MAPT (0.51) | KMT2AHSP90AA1MEN1CYP26A1CYP19A1 | |
| SCHEMBL9795396 | 0.69 | CYP19A1 (0.49) | KMT2AHSP90AA1ALDH1A1NPSR1MEN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5332753-A | Thiazole derivatives, their preparation and their use as fungicides | SHELL RESEARCH LIMITED (GB) | 1994-07-26 | — | — | US | disclosed |
| EP-0411718-A2 | Thiazole derivatives, their preparation and their use as fungicides | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1991-02-06 | — | — | EP | disclosed |