Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CFTR | P13569 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | TOP2A | P11388 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.53 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.53 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.53 |
| ▸ | CNR1 | P21554 | 1/20 | 0.53 |
| ▸ | CNR2 | P34972 | 1/20 | 0.53 |
| ▸ | LCK | P06239 | 1/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | PDE5A | O76074 | 2/20 | 0.50 |
| ▸ | PDE4A | P27815 | 1/20 | 0.50 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.50 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.50 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.50 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL29249923 | 0.79 | CFTR (0.56) | CFTRALDH1A1LCKMAPK1PDE4A | |
| SCHEMBL31315686 | 0.77 | CFTR (0.51) | CFTRALDH1A1SMN1; SMN2CNR1CNR2 | |
| SCHEMBL30020354 | 0.76 | KMT2A (0.65) | ALDH1A1SMN1; SMN2TP53KMT2A | |
| SCHEMBL28895792 | 0.76 | KMT2A (0.65) | ALDH1A1SMN1; SMN2TP53KMT2A | |
| SCHEMBL26350295 | 0.74 | KCNH2 (0.79) | ALDH1A1SMN1; SMN2ADORA3LCKTP53 | |
| SCHEMBL11279705 | 0.74 | SSTR5 (0.66) | ALDH1A1SMN1; SMN2ADORA3LCKTP53 | |
| SCHEMBL28034968 | 0.74 | CFTR (0.59) | CFTRALDH1A1PDE4APDE4BPDE4C | |
| SCHEMBL28034524 | 0.73 | CFTR (0.55) | CFTRSMN1; SMN2PDE4APDE4BPDE4C | |
| SCHEMBL28555682 | 0.71 | CFTR (0.53) | CFTRALDH1A1MAPK1PDE4APDE4B | |
| SCHEMBL28898444 | 0.71 | CFTR (0.67) | CFTRALDH1A1SMN1; SMN2TP53PDE4A |
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-105001169-A | Synthetic method for 3-aminoquinoxaline-2(1H)-ketone compound | UNIV HUAQIAO | 2015-10-28 | — | — | CN | disclosed |