Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.52 |
| ▸ | HPGD | P15428 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.45 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | GSTO1 | P78417 | 1/20 | 0.43 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | NSD2 | O96028 | 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 | |
|---|---|---|---|---|
| SCHEMBL10693742 | 0.86 | HCRTR2 (0.47) | ALDH1A1KMT2AHPGDKDM4ELMNA | |
| SCHEMBL15829877 | 0.84 | HTR2A (0.44) | ALDH1A1KMT2AHPGDKDM4ELMNA | |
| SCHEMBL9683547 | 0.84 | SMN1; SMN2 (0.46) | ALDH1A1KMT2AHPGDKDM4ESMN1; SMN2 | |
| SCHEMBL17303556 | 0.83 | HTR2A (0.43) | ALDH1A1KMT2AHPGDKDM4ELMNA | |
| SCHEMBL4031734 | 0.81 | GSTO1 (0.54) | ALDH1A1KMT2AHPGDKDM4EHCRTR2 | |
| SCHEMBL4566032 | 0.80 | HCRTR2 (0.48) | ALDH1A1KMT2AHPGDLMNAHCRTR2 | |
| SCHEMBL17303554 | 0.80 | PRMT6 (0.44) | ALDH1A1KMT2AHPGDKDM4ELMNA | |
| SCHEMBL17303835 | 0.80 | HTR2A (0.41) | ALDH1A1KMT2AHPGDKDM4ELMNA | |
| SCHEMBL12169372 | 0.79 | TSHR (0.47) | ALDH1A1KMT2AHPGDKDM4ESMN1; SMN2 | |
| SCHEMBL4891235 | 0.79 | LMNA (0.41) | ALDH1A1KMT2AHPGDLMNASMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-6596719-B1 | Manufacturing those compounds, pharmaceutical compositions containing one or more of those compounds as endothelin antagonists, and a method of treating a subject having a disorder involving endothelin with the compounds of the | ACTELIO PHARMACEUTICALS LTD. (CH) | 2003-07-22 | — | — | US | disclosed |