Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 4/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.50 |
| ▸ | HPGD | P15428 | 3/20 | 0.50 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.50 |
| ▸ | CHEK2 | O96017 | 2/20 | 0.47 |
| ▸ | RPS6KA3 | P51812 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL18136535 | 0.80 | PTGS2 (0.58) | PTGS2ALDH1A1KDM4EHSD17B10HPGD | |
| SCHEMBL11448095 | 0.77 | PTGS2 (0.55) | PTGS2ALDH1A1KDM4EHSD17B10HPGD | |
| SCHEMBL9702267 | 0.77 | ALDH1A1 (0.43) | PTGS2ALDH1A1KDM4EHSD17B10HPGD | |
| SCHEMBL18134474 | 0.75 | PTGS2 (0.53) | PTGS2ALDH1A1KDM4EHSD17B10HPGD | |
| SCHEMBL10874435 | 0.71 | TP53 (0.45) | ALDH1A1KDM4EHSD17B10HPGDRXFP1 | |
| SCHEMBL10968965 | 0.71 | PTGS2 (0.55) | PTGS2ALDH1A1KDM4EHPGDRXFP1 | |
| SCHEMBL8402875 | 0.71 | KDM4E (0.49) | ALDH1A1KDM4EHSD17B10HPGDRXFP1 | |
| SCHEMBL3242224 | 0.71 | PTGS2 (1.00) | PTGS2ALDH1A1KDM4EHSD17B10HPGD | |
| SCHEMBL4767114 | 0.71 | TEK (0.60) | PTGS2HSD17B10NTRK1 | |
| SCHEMBL7384087 | 0.70 | KDM4E (0.40) | PTGS2ALDH1A1KDM4EHSD17B10HPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-0164635-A2 | Imidazothiazolemethylene-acetohydrazide derivatives, preparation thereof and pharmaceutical composition having diuretic activity | MEDIOLANUM FARMACEUTICI s.r.l. (IT) | 1985-12-18 | — | — | EP | disclosed |