Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 1/20 | 0.47 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.47 |
| ▸ | CCR1 | P32246 | 3/20 | 0.43 |
| ▸ | CCR5 | P51681 | 3/20 | 0.43 |
| ▸ | CCR8 | P51685 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.35 |
| ▸ | COPS5 | Q92905 | 1/20 | 0.35 |
| ▸ | NOS3 | P29474 | 1/20 | 0.34 |
| ▸ | NOS1 | P29475 | 1/20 | 0.34 |
| ▸ | NOS2 | P35228 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.33 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.31 |
| ▸ | PARP1 | P09874 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | GRM4 | Q14833 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL27259309 | 0.82 | ADORA2A (0.42) | ADORA2AADORA2BCCR1CCR5CCR8 | |
| SCHEMBL17674371 | 0.82 | HSD17B10 (0.43) | ADORA2AADORA2BCCR1CCR5CCR8 | |
| SCHEMBL30968108 | 0.82 | CCR1 (0.39) | ADORA2AADORA2BCCR1CCR5CCR8 | |
| SCHEMBL30506328 | 0.82 | HSD17B10 (0.43) | ADORA2AADORA2BCCR1CCR5CCR8 | |
| SCHEMBL20116648 | 0.80 | ADORA2A (0.40) | ADORA2AADORA2BKDM4EALDH1A1HRH4 | |
| SCHEMBL17678134 | 0.78 | ADORA2A (0.39) | ADORA2AADORA2BKDM4EALDH1A1SLC22A12 | |
| SCHEMBL5363077 | 0.78 | ADORA2A (0.41) | ADORA2AADORA2B | |
| Ammonia Solution, Strong SCHEMBL29161534 | 0.76 | ADORA2A (0.39) | ADORA2AADORA2B | |
| SCHEMBL20116494 | 0.73 | SLC22A12 (0.35) | ADORA2AADORA2BSLC22A12MAPK1SPR | |
| SCHEMBL20661130 | 0.73 | SLC22A12 (0.35) | ADORA2AADORA2BHDAC6SLC22A12SPR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021254493-A1 | CYCLIC COMPOUND HAVING ANTI-TUMOR ACTIVITY AND USE THEREOF | 上海翊石医药科技有限公司 | 2021-12-23 | — | — | WO | disclosed |
| WO-2019209948-A9 | COMPOUNDS AND USES THEREOF | YUMANITY THERAPEUTICS, INC. (US) | 2020-01-02 | — | — | WO | disclosed |
| WO-2019018795-A1 | COMPOUNDS AND USES THEREOF | YUMANITY THERAPEUTICS (US) | 2019-01-24 | — | — | WO | disclosed |
| WO-2018081167-A1 | COMPOUNDS AND USES THEREOF | YUMANITY THERAPEUTICS (US) | 2018-05-03 | — | — | WO | disclosed |