Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XDH | P47989 | 1/20 | 0.44 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.44 |
| ▸ | IKBKB | O14920 | 1/20 | 0.39 |
| ▸ | CHUK | O15111 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.38 |
| ▸ | IMPDH1 | P20839 | 1/20 | 0.38 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 2/20 | 0.35 |
| ▸ | GPR35 | Q9HC97 | 4/20 | 0.35 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.35 |
| ▸ | GRM5 | P41594 | 2/20 | 0.33 |
| ▸ | BTK | Q06187 | 1/20 | 0.33 |
| ▸ | DHPS | P49366 | 1/20 | 0.32 |
| ▸ | PTPRC | P08575 | 1/20 | 0.32 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.32 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.32 |
| ▸ | PTPRB | P23467 | 1/20 | 0.32 |
| ▸ | PTPRE | P23469 | 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 | |
|---|---|---|---|---|
| SCHEMBL30087939 | 1.00 | XDH (0.44) | XDHSLC22A12IKBKBCHUKESR1 | |
| SCHEMBL21921435 | 0.84 | XDH (0.39) | XDHSLC22A12IKBKBCHUKESR1 | |
| SCHEMBL28601707 | 0.82 | XDH (0.46) | XDHSLC22A12IKBKBCHUKESR1 | |
| SCHEMBL30088006 | 0.82 | XDH (0.46) | XDHSLC22A12IKBKBCHUKESR1 | |
| SCHEMBL28610110 | 0.80 | ROCK2 (0.40) | IKBKBCHUKROCK2GRM5 | |
| SCHEMBL30087866 | 0.80 | ROCK2 (0.40) | IKBKBCHUKROCK2GRM5 | |
| SCHEMBL28603297 | 0.79 | ALDH1A1 (0.40) | XDHSLC22A12IKBKBCHUKESR1 | |
| SCHEMBL30087782 | 0.79 | ALDH1A1 (0.40) | XDHSLC22A12IKBKBCHUKESR1 | |
| SCHEMBL30087787 | 0.79 | ALDH1A1 (0.40) | XDHSLC22A12IKBKBCHUKESR1 | |
| SCHEMBL21920694 | 0.75 | NR3C1 (0.49) | GRM5PTPRCPTPN2PTPN1PTPRB |
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 |