Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL7299462 | 0.81 | SMN1; SMN2 (0.47) | SMN1; SMN2PKMCYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL10160044 | 0.76 | SMN1; SMN2 (0.50) | SMN1; SMN2PKMCYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL12448183 | 0.76 | SMN1; SMN2 (0.50) | SMN1; SMN2PKMCYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL738198 | 0.76 | SMN1; SMN2 (0.54) | SMN1; SMN2PKMCYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL824919 | 0.75 | SMN1; SMN2 (0.48) | SMN1; SMN2PKMCYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL828715 | 0.75 | SMN1; SMN2 (0.48) | SMN1; SMN2PKMCYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL8488469 | 0.75 | SMN1; SMN2 (0.48) | SMN1; SMN2PKMCYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL5486914 | 0.75 | SMN1; SMN2 (0.48) | SMN1; SMN2PKMCYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL29520458 | 0.75 | GAA (0.53) | SMN1; SMN2PKMCYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL13912231 | 0.74 | SMN1; SMN2 (0.58) | SMN1; SMN2PKMCYP3A4CYP2C19ALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6265381-B1 | MORPHOLINOUREA AND RELATED DERIVATIVES OF PENTAFLUOROETHYL PEPTIDES | MERRELL PHARMACEUTICALS, INC. | 2001-07-24 | — | — | US | disclosed |
| US-5714470-A | PENTAFLUORO ALKYL TERMINATED PEPTIDE DERIVATIVES; TREATMENT OF INFLAMMATORY DISEASES, EMPHYSEMA AND CHRONIC BRONCHITIS | MERRELL PHARMACEUTICALS, INC. (US) | 1998-02-03 | — | — | US | disclosed |
| EP-0529568-B1 | Novel orally-active elastase inhibitors | MERRELL PHARMA INC (US) | 1997-01-15 | — | — | EP | disclosed |
| US-5478811-A | Antiinflammatory agents, enzyme inhibitors | MERRELL DOW PHARMACEUTICALS INC. (US) | 1995-12-26 | — | — | US | disclosed |
| EP-0529568-A1 | Novel orally-active elastase inhibitors | MERRELL PHARMACEUTICALS INC. (US) | 1993-03-03 | — | — | EP | disclosed |