Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.37 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | EGFR | P00533 | 1/20 | 0.31 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.31 |
| ▸ | SRC | P12931 | 1/20 | 0.31 |
| ▸ | NPEPPS | P55786 | 1/20 | 0.31 |
| ▸ | HTR1A | P08908 | 1/20 | 0.31 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.31 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.30 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.30 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.30 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.30 |
| ▸ | PTK2 | Q05397 | 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 | |
|---|---|---|---|---|
| SCHEMBL11054223 | 0.92 | KMT2A (0.36) | KCNH2SCN5AALDH1A1HCAR1KMT2A | |
| SCHEMBL11054993 | 0.87 | KCNH2 (0.38) | KCNH2SCN5AALDH1A1HPGDKMT2A | |
| SCHEMBL11059651 | 0.86 | HCAR1 (0.44) | KCNH2SCN5AALDH1A1LMNAHPGD | |
| SCHEMBL11056006 | 0.85 | KCNH2 (0.39) | KCNH2SCN5AALDH1A1LMNAHPGD | |
| SCHEMBL11056595 | 0.85 | CDK4 (0.40) | ALDH1A1LMNAHPGDHCAR1KMT2A | |
| SCHEMBL11056217 | 0.84 | ESR1 (0.34) | ESR1ESR2 | |
| Hydrochloric Acid SCHEMBL11053509 | 0.84 | KCNH2 (0.38) | KCNH2SCN5AALDH1A1LMNAHPGD | |
| SCHEMBL11056312 | 0.83 | LCK (0.44) | ALDH1A1LMNAKMT2AFGFR1 | |
| SCHEMBL11057759 | 0.83 | KCNH3 (0.35) | KCNH2SCN5AALDH1A1LMNAHPGD | |
| SCHEMBL11055859 | 0.83 | MKNK1 (0.39) | — |
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 |