Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 5/20 | 0.35 |
| ▸ | NOS1 | P29475 | 5/20 | 0.35 |
| ▸ | NOS2 | P35228 | 2/20 | 0.35 |
| ▸ | CRHBP | P24387 | 1/20 | 0.33 |
| ▸ | CRHR2 | Q13324 | 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 | |
|---|---|---|---|---|
| SCHEMBL9738003 | 0.90 | GAA (0.34) | NOS3NOS1NOS2CRHBPCRHR2 | |
| SCHEMBL9739029 | 0.78 | L3MBTL1 (0.42) | NOS3NOS1NOS2CRHBPCRHR2 | |
| SCHEMBL9738657 | 0.73 | CRHBP (0.39) | CRHBPCRHR2 | |
| SCHEMBL9424547 | 0.70 | PTGS1 (0.37) | NOS3NOS1NOS2 | |
| SCHEMBL9738689 | 0.67 | CRHBP (0.41) | NOS3NOS1NOS2CRHBPCRHR2 | |
| SCHEMBL5026448 | 0.67 | ALDH1A1 (0.33) | — | |
| SCHEMBL33145 | 0.65 | ALDH1A1 (0.43) | — | |
| SCHEMBL9682249 | 0.65 | LMNA (0.30) | — | |
| SCHEMBL9738049 | 0.65 | CRHBP (0.38) | CRHBPCRHR2 | |
| SCHEMBL14136140 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5086177-A | Chemical intermediate for herbicides | BAYER AKTIENGESELLSCHAFT (DE) | 1992-02-04 | — | — | US | disclosed |
| US-4980469-A | Reacting isothiourea of nitrogen containing heterocycle with hydroxylamine derivative | BAYER AKTIENGESELLSCHAFT (DE) | 1990-12-25 | — | — | US | disclosed |