Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1A | P35348 | 2/20 | 0.45 |
| ▸ | AKT1 | P31749 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.43 |
| ▸ | HTR3B | O95264 | 1/20 | 0.43 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.43 |
| ▸ | HTR3A | P46098 | 1/20 | 0.43 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.43 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.39 |
| ▸ | IP6K3 | Q96PC2 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.38 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.38 |
| ▸ | KDM4B | O94953 | 1/20 | 0.38 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL550151 | 0.76 | SIGMAR1 (0.50) | ADRA1ALMNAMAPTSIGMAR1HRH3 | |
| SCHEMBL12082637 | 0.73 | AKT1 (0.39) | ADRA1AAKT1HTR3EHTR3BHTR3A | |
| SCHEMBL13999400 | 0.69 | HRH3 (0.43) | ADRA1AAKT1LMNAHTR3EHTR3B | |
| SCHEMBL22915965 | 0.69 | ACHE (0.50) | MAPTSIGMAR1HRH3DRD2NPC1 | |
| SCHEMBL22915890 | 0.67 | KDM4E (0.47) | SIGMAR1HPGD | |
| SCHEMBL22915978 | 0.67 | HRH3 (0.47) | SIGMAR1HRH3DRD2 | |
| SCHEMBL550173 | 0.66 | ADRA1A (0.40) | ADRA1AAKT1LMNAHTR3AHRH3 | |
| SCHEMBL385012 | 0.66 | — | — | |
| SCHEMBL164538 | 0.66 | LMNA (0.67) | LMNAMAPTHTR3EHTR3BADRB1 | |
| SCHEMBL576454 | 0.66 | LMNA (0.67) | LMNAMAPTHTR3EHTR3BADRB1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2978763-A1 | 2-KETO AMIDE DERIVATIVES AS HIV ATTACHMENT INHIBITORS | Bristol-Myers Squibb Company (US) | 2016-02-03 | — | — | EP | disclosed |
| WO-2014160692-A1 | 2-KETO AMIDE DERIVATIVES AS HIV ATTACHMENT INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2014-10-02 | — | — | WO | disclosed |