Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
| ▸ | ELANE | P08246 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11058852 | 0.92 | ELANE (0.34) | ELANE | |
| SCHEMBL11055502 | 0.91 | AURKA (0.32) | — | |
| SCHEMBL11060337 | 0.87 | CRHR1 (0.33) | — | |
| SCHEMBL11057711 | 0.86 | EGFR (0.33) | ELANE | |
| SCHEMBL11059409 | 0.86 | ELANE (0.31) | ELANE | |
| SCHEMBL11055980 | 0.86 | ELANE (0.31) | ELANE | |
| SCHEMBL11059249 | 0.85 | ESR1 (0.38) | — | |
| SCHEMBL11058843 | 0.85 | MAPK14 (0.31) | — | |
| SCHEMBL11054473 | 0.85 | — | — | |
| SCHEMBL11053086 | 0.85 | CHRNA7 (0.33) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4452980-A | DIARRHEA | WILLIAM H. RORER, INC. (US) | 1984-06-05 | — | — | US | disclosed |
| US-4246409-A | ANTIDIARRHEAL AGENTS | WILLIAM H. RORER, INC. (US) | 1981-01-20 | — | — | US | disclosed |
| US-4225315-A | Triazinones from amidinoureas | WILLIAM H. RORER, INC. (US) | 1980-09-30 | — | — | US | disclosed |