Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 3/20 | 0.46 |
| ▸ | HTR2C | P28335 | 2/20 | 0.46 |
| ▸ | HTR2B | P41595 | 2/20 | 0.46 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.43 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.41 |
| ▸ | HTR1A | P08908 | 2/20 | 0.40 |
| ▸ | HTR7 | P34969 | 1/20 | 0.40 |
| ▸ | HTR6 | P50406 | 1/20 | 0.40 |
| ▸ | ALB | P02768 | 1/20 | 0.39 |
| ▸ | IL2 | P60568 | 1/20 | 0.39 |
| ▸ | GABRP | O00591 | 1/20 | 0.38 |
| ▸ | GABRD | O14764 | 1/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.38 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.38 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.38 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.38 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.38 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.38 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29206558 | 0.88 | HTR2A (0.44) | HTR2AHTR2CHTR2BFFAR1GPR84 | |
| SCHEMBL25678359 | 0.86 | HTR2A (0.47) | HTR2AHTR2CHTR2BFFAR1GPR84 | |
| SCHEMBL25435471 | 0.84 | GPR84 (0.43) | HTR2AGPR84HTR1AHTR7HTR6 | |
| SCHEMBL25423247 | 0.82 | HTR1A (0.39) | HTR1ACDK4CCND1 | |
| SCHEMBL31666415 | 0.80 | SLC22A6 (0.43) | HTR2AHTR2CHTR2BHTR1AHTR6 | |
| SCHEMBL23723411 | 0.80 | HTR2A (0.41) | HTR2AHTR2CHTR2BFFAR1GPR84 | |
| SCHEMBL30053545 | 0.79 | MPO (0.44) | GPR84SLC6A4 | |
| SCHEMBL10083723 | 0.79 | HTR2A (0.47) | HTR2AHTR2CHTR2BFFAR1GPR84 | |
| SCHEMBL25423289 | 0.78 | HTR1A (0.50) | HTR1AHTR7HTR6GABRPGABRD | |
| SCHEMBL10203636 | 0.77 | GPR84 (0.50) | HTR2AHTR2CHTR2BFFAR1GPR84 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2014160692-A1 | 2-KETO AMIDE DERIVATIVES AS HIV ATTACHMENT INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2014-10-02 | — | — | WO | disclosed |
| WO-2014160689-A1 | PIPERAZINE AND HOMOPIPERAZINE DERIVATIVES AS HIV ATTACHMENT INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2014-10-02 | — | — | WO | disclosed |