Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.48 |
| ▸ | NOS1 | P29475 | 1/20 | 0.48 |
| ▸ | NOS2 | P35228 | 1/20 | 0.48 |
| ▸ | MCHR1 | Q99705 | 3/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.41 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.41 |
| ▸ | MAP3K11 | Q16584 | 2/20 | 0.41 |
| ▸ | LTA4H | P09960 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.39 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.39 |
| ▸ | ABL1 | P00519 | 1/20 | 0.38 |
| ▸ | KIT | P10721 | 1/20 | 0.38 |
| ▸ | SRC | P12931 | 1/20 | 0.38 |
| ▸ | FRK | P42685 | 1/20 | 0.38 |
| ▸ | PTK6 | Q13882 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL27981872 | 0.87 | LTA4H (0.53) | MCHR1LTA4HHRH3ADORA2AADORA1 | |
| SCHEMBL221350 | 0.83 | NOS1 (0.67) | NOS3NOS1NOS2MCHR1ADRA1A | |
| SCHEMBL27981880 | 0.78 | NOS3 (0.46) | NOS3NOS1NOS2MCHR1KDM4E | |
| SCHEMBL5538401 | 0.73 | KDM4E (0.49) | KDM4EMEN1ALDH1A1KMT2A | |
| SCHEMBL4741439 | 0.69 | ROCK2 (0.40) | NOS3NOS1NOS2KDM4EMEN1 | |
| SCHEMBL220877 | 0.68 | NOS3 (0.61) | NOS3NOS1NOS2MCHR1LTA4H | |
| SCHEMBL219485 | 0.68 | NOS3 (0.64) | NOS3NOS1NOS2MCHR1 | |
| SCHEMBL27981548 | 0.68 | PTPN1 (0.48) | LTA4HKDM4EALDH1A1HRH3 | |
| SCHEMBL6957842 | 0.66 | MCHR1 (0.70) | MCHR1LTA4HHTR2A | |
| SCHEMBL6847455 | 0.66 | HRH3 (0.80) | HRH3 |
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 |
|---|---|---|---|---|---|---|---|
| US-8178536-B2 | Sirtuin modulating compounds | SIRTRIS PHARMACEUTICALS, INC. (US) | 2012-05-15 | — | — | US | disclosed |