Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 1/20 | 0.38 |
| ▸ | NOS2 | P35228 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.33 |
| ▸ | HTR1A | P08908 | 2/20 | 0.33 |
| ▸ | HTR2A | P28223 | 2/20 | 0.33 |
| ▸ | MYC | P01106 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.32 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2174481 | 0.90 | SLC6A4 (0.36) | NOS3NOS1NOS2HTTALDH1A1 | |
| SCHEMBL2406213 | 0.88 | HTT (0.42) | NOS3NOS1NOS2HTTALDH1A1 | |
| SCHEMBL500014 | 0.85 | NOS3 (0.38) | NOS3NOS1NOS2HTTALDH1A1 | |
| SCHEMBL10053221 | 0.81 | L3MBTL1 (0.37) | ALDH1A1KDM4ESLC6A4HTR1AHTR2A | |
| SCHEMBL500012 | 0.80 | HTR2A (0.36) | SLC6A4HTR1AHTR2ASMN1; SMN2MEN1 | |
| SCHEMBL9700591 | 0.80 | HTR1A (0.41) | SLC6A4HTR1AHTR2AIDO1 | |
| SCHEMBL7426858 | 0.79 | ALDH1A1 (0.40) | HTTALDH1A1KDM4ESLC6A4SMN1; SMN2 | |
| SCHEMBL7421252 | 0.79 | HTT (0.39) | HTTALDH1A1SLC6A4SMN1; SMN2MEN1 | |
| SCHEMBL2560634 | 0.78 | NOS3 (0.44) | NOS3NOS1NOS2HTTALDH1A1 | |
| SCHEMBL791405 | 0.77 | NOS3 (0.42) | NOS3NOS1NOS2HTTALDH1A1 |
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-2002022584-A1 | THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 2002-03-21 | — | — | WO | disclosed |