Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | DHFR | P00374 | 3/20 | 0.33 |
| ▸ | DNMT1 | P26358 | 2/20 | 0.32 |
| ▸ | GMNN | O75496 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | THPO | P40225 | 1/20 | 0.32 |
| ▸ | MTOR | P42345 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | HBB | P68871 | 1/20 | 0.32 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11053059 | 0.85 | MAP3K14 (0.34) | MAP3K14RAB9ADHFRDNMT1GMNN | |
| SCHEMBL11054120 | 0.85 | MAP3K14 (0.34) | MAP3K14RAB9ASMN1; SMN2DHFRDNMT1 | |
| SCHEMBL11059092 | 0.83 | HCAR1 (0.35) | RAB9ANPC1DNMT1GMNNALDH1A1 | |
| SCHEMBL11053265 | 0.81 | HCAR1 (0.38) | MAP3K14RAB9ADHFRDNMT1GMNN | |
| SCHEMBL11344723 | 0.79 | NPC1 (0.32) | RAB9ANPC1SMN1; SMN2 | |
| SCHEMBL11056825 | 0.79 | CRHR1 (0.37) | MAP3K14DHFRNOS3NOS1NOS2 | |
| SCHEMBL11350752 | 0.78 | ALDH1A1 (0.39) | RAB9ANPC1SMN1; SMN2ALDH1A1LMNA | |
| SCHEMBL11056198 | 0.78 | CCNE2 (0.36) | MAP3K14SMN1; SMN2HTT | |
| SCHEMBL11055375 | 0.78 | GABRA1 (0.36) | MAP3K14RAB9ADHFRDNMT1GMNN | |
| SCHEMBL11057586 | 0.78 | ELANE (0.36) | MAP3K14RAB9ANPC1SMN1; SMN2DHFR |
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 |