Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XDH | P47989 | 1/20 | 0.46 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.46 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.43 |
| ▸ | IKBKB | O14920 | 1/20 | 0.41 |
| ▸ | CHUK | O15111 | 1/20 | 0.41 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.41 |
| ▸ | IMPDH1 | P20839 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.39 |
| ▸ | GPR35 | Q9HC97 | 4/20 | 0.38 |
| ▸ | MAOA | P21397 | 2/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | PIK3C3 | Q8NEB9 | 1/20 | 0.37 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.37 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.35 |
| ▸ | KDM1A | O60341 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL30088006 | 1.00 | XDH (0.46) | XDHSLC22A12ROCK2IKBKBCHUK | |
| SCHEMBL30087939 | 0.82 | XDH (0.44) | XDHSLC22A12ROCK2IKBKBCHUK | |
| SCHEMBL28604961 | 0.82 | XDH (0.44) | XDHSLC22A12ROCK2IKBKBCHUK | |
| SCHEMBL21805739 | 0.80 | ROCK2 (0.40) | ROCK2IKBKBCHUKMAOAMAOB | |
| SCHEMBL23739980 | 0.79 | ROCK2 (0.47) | ROCK2MAOAMAOBPIK3C3KDM4E | |
| SCHEMBL25351455 | 0.79 | ROCK2 (0.47) | ROCK2ESR1MAOAMAOBPIK3C3 | |
| SCHEMBL21920740 | 0.78 | IMPDH2 (0.44) | XDHSLC22A12IKBKBCHUKIMPDH2 | |
| SCHEMBL18661406 | 0.78 | ROCK2 (0.46) | ROCK2ESR1DYRK1AMAOAMAOB | |
| SCHEMBL31607389 | 0.78 | ROCK2 (0.46) | ROCK2ESR1DYRK1AMAOAMAOB | |
| SCHEMBL30087787 | 0.77 | ALDH1A1 (0.40) | XDHSLC22A12IKBKBCHUKESR1 |
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-113015526-A | Spirocyclic 2, 3-dihydro-7-azaindole compounds and uses thereof | 豪夫迈·罗氏有限公司 | 2021-06-22 | — | — | CN | disclosed |