Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1D | P28221 | 2/20 | 0.41 |
| ▸ | HTR1B | P28222 | 2/20 | 0.41 |
| ▸ | NOS3 | P29474 | 6/20 | 0.38 |
| ▸ | NOS1 | P29475 | 6/20 | 0.38 |
| ▸ | NOS2 | P35228 | 4/20 | 0.36 |
| ▸ | HTR7 | P34969 | 3/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | DRD1 | P21728 | 1/20 | 0.34 |
| ▸ | DRD4 | P21917 | 1/20 | 0.34 |
| ▸ | DRD5 | P21918 | 1/20 | 0.34 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | SCN1A | P35498 | 1/20 | 0.33 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 3/20 | 0.33 |
| ▸ | PPARD | Q03181 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL221165 | 0.83 | NOS1 (0.58) | HTR1DHTR1BNOS3NOS1NOS2 | |
| SCHEMBL2744102 | 0.82 | NOS1 (0.56) | NOS3NOS1NOS2HTR7ABCB11 | |
| SCHEMBL27981902 | 0.81 | ABCB11 (0.43) | NOS3NOS1NOS2HTR7DRD2 | |
| SCHEMBL27981553 | 0.74 | NOS1 (0.67) | NOS3NOS1NOS2HTR7DRD2 | |
| SCHEMBL27981883 | 0.70 | PTPN1 (0.43) | NOS3NOS1NOS2KDM4EALDH1A1 | |
| SCHEMBL27981551 | 0.69 | KDM4E (0.43) | HTR1BNOS3NOS1NOS2HTR7 | |
| SCHEMBL4282781 | 0.69 | NOS1 (0.54) | NOS3NOS1NOS2HTR7LMNA | |
| SCHEMBL27981576 | 0.68 | NOS3 (0.44) | HTR1BNOS3NOS1NOS2HTR7 | |
| SCHEMBL27981549 | 0.67 | PTPN1 (0.41) | NOS3NOS1NOS2LMNAKDM4E | |
| SCHEMBL7074878 | 0.67 | NOS1 (0.42) | NOS3NOS1NOS2 |
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 |