Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CRHR1 | P34998 | 3/20 | 0.34 |
| ▸ | NOS3 | P29474 | 1/20 | 0.30 |
| ▸ | NOS2 | P35228 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11050195 | 0.84 | HCAR1 (0.39) | — | |
| SCHEMBL11056407 | 0.81 | CRHR1 (0.34) | KDM4EALDH1A1CRHR1NOS3NOS2 | |
| SCHEMBL11052345 | 0.78 | KDM4E (0.39) | KDM4EALDH1A1CRHR1NOS3NOS2 | |
| SCHEMBL11057092 | 0.76 | CHRNA7 (0.44) | — | |
| SCHEMBL11056217 | 0.74 | ESR1 (0.34) | — | |
| SCHEMBL11060337 | 0.73 | CRHR1 (0.33) | CRHR1 | |
| SCHEMBL11059128 | 0.72 | KCNH2 (0.37) | ALDH1A1 | |
| SCHEMBL11058209 | 0.70 | HCAR1 (0.38) | ALDH1A1CRHR1 | |
| SCHEMBL11050289 | 0.70 | ESR1 (0.39) | — | |
| SCHEMBL11055502 | 0.70 | AURKA (0.32) | — |
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 |