Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.36 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.36 |
| ▸ | CCR5 | P51681 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.33 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL27933965 | 0.75 | ALDH1A1 (0.38) | ALDH1A1KMT2AMEN1POLB | |
| SCHEMBL28022859 | 0.72 | GAA (0.53) | ALDH1A1NPC1RAB9A | |
| SCHEMBL16463448 | 0.66 | CA2 (0.56) | ALDH1A1 | |
| SCHEMBL28022336 | 0.65 | GPR119 (0.36) | ALDH1A1KMT2AMEN1 | |
| SCHEMBL12449663 | 0.62 | RECQL (0.63) | ALDH1A1KMT2AMEN1POLBCHRNB2 | |
| SCHEMBL12986 | 0.62 | RECQL (0.63) | ALDH1A1KMT2AMEN1POLBCHRNB2 | |
| SCHEMBL19002209 | 0.62 | RECQL (0.63) | ALDH1A1KMT2AMEN1POLBCHRNB2 | |
| SCHEMBL13753568 | 0.61 | GAA (0.62) | ALDH1A1KMT2AMEN1POLBCHRNB2 | |
| SCHEMBL28159225 | 0.61 | CHRNB2 (0.44) | ALDH1A1KMT2AMEN1POLBCHRNB2 | |
| SCHEMBL11202198 | 0.61 | CDC42 (0.59) | ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104703980-A | Orexin receptor antagonists which are [ortho bi (hetero )aryl]-[2-(meta bi (hetero )aryl)-pyrrolidin-1-yl]-methanone derivatives | ACTELION PHARMACEUTICALS LTD | 2015-06-10 | — | — | CN | disclosed |