Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 6/20 | 0.71 |
| ▸ | NOS1 | P29475 | 6/20 | 0.71 |
| ▸ | NOS2 | P35228 | 5/20 | 0.71 |
| ▸ | HTR7 | P34969 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | ACVR1B | P36896 | 1/20 | 0.38 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.38 |
| ▸ | HTR1B | P28222 | 1/20 | 0.37 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.37 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.37 |
| ▸ | IGF1R | P08069 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | DRD1 | P21728 | 1/20 | 0.36 |
| ▸ | DRD4 | P21917 | 1/20 | 0.36 |
| ▸ | DRD5 | P21918 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7868256 | 0.95 | NOS3 (0.64) | NOS3NOS1NOS2HTR7KDM4E | |
| SCHEMBL5838088 | 0.83 | NOS1 (1.00) | NOS3NOS1NOS2 | |
| SCHEMBL6152661 | 0.79 | NOS3 (0.71) | NOS3NOS1NOS2HTR7KDM4E | |
| SCHEMBL6152658 | 0.78 | NOS3 (0.68) | NOS3NOS1NOS2HTR7KDM4E | |
| SCHEMBL6152558 | 0.78 | NOS1 (0.91) | NOS3NOS1NOS2 | |
| SCHEMBL19154076 | 0.66 | KDM4E (0.53) | NOS3NOS1NOS2HTR7KDM4E | |
| SCHEMBL4854673 | 0.66 | ERN1 (0.51) | NOS3NOS1NOS2HTR7KDM4E | |
| SCHEMBL23405947 | 0.66 | CHRNB2 (0.54) | KDM4ESMN1; SMN2ACVR1BTGFBR1ADRB2 | |
| SCHEMBL29743809 | 0.66 | CHRNB2 (0.54) | KDM4ESMN1; SMN2ACVR1BTGFBR1ADRB2 | |
| SCHEMBL4138229 | 0.66 | CYP2D6 (0.69) | ACVR1BTGFBR1ADRB2ADRB1DRD2 |
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-1178784-A1 | NEW PHARMACEUTICAL COMBINATIONS FOR NOS INHIBITORS | Pfizer Products Inc. (US) | 2002-02-13 | — | — | EP | disclosed |
| WO-2000071107-A2 | NEW PHARMACEUTICAL COMBINATIONS FOR NOS INHIBITORS | PFIZER PRODUCTS INC. (US) | 2000-11-30 | — | — | WO | disclosed |