Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CRHR1 | P34998 | 4/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | NOS3 | P29474 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.31 |
| ▸ | FPR3 | P25089 | 1/20 | 0.30 |
| ▸ | TSPO | P30536 | 1/20 | 0.30 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.30 |
| ▸ | DHFR | P00374 | 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 | |
|---|---|---|---|---|
| SCHEMBL11052944 | 0.80 | CRHR1 (0.38) | KDM4EALDH1A1CRHR1LMNAGAA | |
| SCHEMBL11059281 | 0.78 | KDM4E (0.37) | KDM4EALDH1A1CRHR1NOS3NOS2 | |
| SCHEMBL11060314 | 0.72 | PI4KA (0.49) | ALDH1A1HSD17B10SMN1; SMN2ROCK1 | |
| SCHEMBL11056492 | 0.72 | KMT2A (0.37) | ALDH1A1DHFR | |
| SCHEMBL11056825 | 0.71 | CRHR1 (0.37) | CRHR1NOS3NOS1NOS2FPR3 | |
| SCHEMBL11052956 | 0.69 | CRHR1 (0.36) | CRHR1GAADHFR | |
| SCHEMBL11053522 | 0.69 | GRM5 (0.36) | MAPTROCK1DHFR | |
| SCHEMBL11055534 | 0.68 | LCK (0.36) | CRHR1 | |
| SCHEMBL11059092 | 0.68 | HCAR1 (0.35) | KDM4EALDH1A1LMNAMAPT | |
| SCHEMBL11402688 | 0.68 | SRC (0.37) | KDM4EALDH1A1LMNAMAPT |
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 |