Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 4/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.36 |
| ▸ | RORC | P51449 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL4357779 | 0.81 | HTT (0.43) | SMN1; SMN2GAAHTTALDH1A1TSHR | |
| SCHEMBL6568620 | 0.78 | CA1 (0.36) | GAAALDH1A1TSHRPOLBMAPT | |
| SCHEMBL6567254 | 0.74 | — | — | |
| SCHEMBL6568663 | 0.70 | FAAH (0.39) | SMN1; SMN2GAAHTTL3MBTL1ALDH1A1 | |
| SCHEMBL4357775 | 0.69 | KMT2A (0.55) | SMN1; SMN2GAAALDH1A1KMT2AHPGD | |
| SCHEMBL4349028 | 0.69 | SMN1; SMN2 (0.50) | SMN1; SMN2GAAHTTL3MBTL1ALDH1A1 | |
| SCHEMBL4344532 | 0.69 | GPBAR1 (0.41) | SMN1; SMN2GAAPOLB | |
| SCHEMBL4355466 | 0.65 | CYP3A4 (0.44) | GAAHTTALDH1A1KMT2AMEN1 | |
| SCHEMBL4347508 | 0.65 | GRIK1 (0.44) | SMN1; SMN2GAAHTTALDH1A1TSHR | |
| SCHEMBL4345929 | 0.65 | SMN1; SMN2 (0.44) | SMN1; SMN2GAAHTTL3MBTL1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1402887-A1 | New compounds for the inhibition of undesired cell proliferation and use thereof | Jerini AG (DE) | 2004-03-31 | — | — | EP | claimed |
| EP-1402888-A1 | The use of substituted carbocyclic compounds as rotamases inhibitors | Jerini AG (DE) | 2004-03-31 | — | — | EP | claimed |