Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 1/20 | 0.52 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.52 |
| ▸ | SLC22A12 | Q96S37 | 2/20 | 0.36 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.36 |
| ▸ | LSS | P48449 | 1/20 | 0.36 |
| ▸ | QPCT | Q16769 | 2/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.33 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.33 |
| ▸ | SCD5 | Q86SK9 | 1/20 | 0.32 |
| ▸ | KHK | P50053 | 1/20 | 0.32 |
| ▸ | KMO | O15229 | 1/20 | 0.32 |
| ▸ | GLS | O94925 | 1/20 | 0.32 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 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 | |
|---|---|---|---|---|
| SCHEMBL24758644 | 1.00 | ADORA2A (0.52) | ADORA2AADORA2BSLC22A12GRM4LSS | |
| SCHEMBL24759258 | 0.87 | ADORA2A (0.52) | ADORA2AADORA2BSLC22A12GRM4LSS | |
| SCHEMBL24759259 | 0.87 | ADORA2A (0.52) | ADORA2AADORA2BSLC22A12GRM4LSS | |
| SCHEMBL15341754 | 0.86 | ADORA2A (0.55) | ADORA2AADORA2BSLC22A12GRM4LSS | |
| SCHEMBL20032325 | 0.79 | ADORA2A (0.50) | ADORA2AADORA2BSLC22A12GRM4LSS | |
| Hydrochloric Acid SCHEMBL30910200 | 0.77 | ELANE (0.32) | ADORA2AADORA2BESR1 | |
| Hydrochloric Acid SCHEMBL27190896 | 0.77 | ELANE (0.32) | ADORA2AADORA2BESR1 | |
| Hydrochloric Acid SCHEMBL29985966 | 0.77 | ELANE (0.32) | ADORA2AADORA2BESR1 | |
| SCHEMBL3340760 | 0.75 | ADORA2A (0.59) | ADORA2AADORA2BGRM4LSSQPCT | |
| SCHEMBL11804 | 0.74 | ADORA2A (0.63) | ADORA2AADORA2BGRM4LSSQPCT |
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 |
|---|---|---|---|---|---|---|---|
| CN-117916239-A | 3-Substituted 1H-pyrrolo [2,3-b ] pyridines as GRK5 modulators | 利德探索中心股份有限公司 | 2024-04-19 | — | — | CN | disclosed |
| EP-4313294-A1 | 3-SUBSTITUTED 1H-PYRROLO[2,3-B]PYRIDINE AS GRK5 MODULATORS | Lead Discovery Center GmbH (DE) | 2024-02-07 | — | — | EP | disclosed |
| WO-2022263548-A1 | 3-SUBSTITUTED 1H-PYRROLO[2,3-B]PYRIDINE AS GRK5 MODULATORS | LEAD DISCOVERY CENTER GMBH (DE) | 2022-12-22 | — | — | WO | disclosed |
| WO-2022263548-A1 | 3-SUBSTITUTED 1H-PYRROLO[2,3-B]PYRIDINE AS GRK5 MODULATORS | LEAD DISCOVERY CENTER GMBH (DE) | 2022-12-22 | — | — | WO | disclosed |