Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.34 |
| ▸ | CRHBP | P24387 | 1/20 | 0.33 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.33 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.33 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.33 |
| ▸ | ELANE | P08246 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | DHFR | P00374 | 1/20 | 0.32 |
| ▸ | NPEPPS | P55786 | 1/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.32 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 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 | |
|---|---|---|---|---|
| SCHEMBL11056492 | 0.92 | KMT2A (0.37) | ALDH1A1HCAR1MAP3K14TLR8KMT2A | |
| SCHEMBL11053522 | 0.90 | GRM5 (0.36) | MAP3K14ROCK1ELANEDHFR | |
| SCHEMBL11053265 | 0.84 | HCAR1 (0.38) | ALDH1A1HPGDHCAR1LMNAMAP3K14 | |
| SCHEMBL11058224 | 0.80 | HCAR1 (0.41) | HCAR1ROCK1KMT2A | |
| SCHEMBL11056509 | 0.79 | GRM1 (0.34) | ALDH1A1HPGDHCAR1LMNAKMT2A | |
| SCHEMBL11059128 | 0.79 | KCNH2 (0.37) | ALDH1A1HPGDHCAR1LMNAKMT2A | |
| SCHEMBL11053109 | 0.79 | NPEPPS (0.36) | ALDH1A1HPGDHCAR1LMNAMAP3K14 | |
| SCHEMBL11054993 | 0.78 | KCNH2 (0.38) | ALDH1A1HPGDKMT2ANPEPPS | |
| SCHEMBL11057586 | 0.78 | ELANE (0.36) | ALDH1A1HPGDHCAR1LMNAMAP3K14 | |
| SCHEMBL11056242 | 0.77 | HCAR1 (0.40) | HCAR1MAP3K14ELANEKMT2ADHFR |
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 |