Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.40 |
| ▸ | NOS1 | P29475 | 1/20 | 0.40 |
| ▸ | NOS2 | P35228 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.34 |
| ▸ | CCR5 | P51681 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 3/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL16497034 | 0.87 | PYCR1 (0.43) | NOS3NOS1NOS2SLC6A4SLC6A2 | |
| SCHEMBL924693 | 0.84 | NOS3 (0.35) | NOS3NOS1NOS2SLC6A4SLC6A2 | |
| SCHEMBL14850055 | 0.81 | — | — | |
| SCHEMBL6822871 | 0.81 | IDO1 (0.32) | SLC6A4SLC6A2IDO1SMN1; SMN2MEN1 | |
| SCHEMBL457099 | 0.81 | DPP4 (0.32) | SLC6A4IDO1HTR2AHTR2C | |
| SCHEMBL5605178 | 0.80 | IDO1 (0.53) | PYCR1IDO1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL2280889 | 0.79 | HPGD (0.41) | SLC6A4IDO1HTR2AHPGD | |
| SCHEMBL6816069 | 0.78 | ENPP2 (0.35) | SLC6A4SLC6A2IDO1SMN1; SMN2MEN1 | |
| SCHEMBL1600326 | 0.77 | IDO1 (0.38) | SLC6A4SLC6A2IDO1CYP1A2CYP2D6 | |
| SCHEMBL8936718 | 0.76 | NOS3 (0.36) | NOS3NOS1NOS2SLC6A4SLC6A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004032834-A2 | THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 2004-04-22 | — | — | WO | disclosed |