Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ELANE | P08246 | 2/20 | 0.36 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.36 |
| ▸ | DHFR | P00374 | 3/20 | 0.36 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.35 |
| ▸ | DAO | P14920 | 1/20 | 0.35 |
| ▸ | NPEPPS | P55786 | 1/20 | 0.34 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.34 |
| ▸ | GRM5 | P41594 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | TDP2 | O95551 | 1/20 | 0.32 |
| ▸ | ABL1 | P00519 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL11053109 | 0.99 | NPEPPS (0.36) | ELANEHCAR1DHFRTLR8DAO | |
| SCHEMBL11053265 | 0.92 | HCAR1 (0.38) | ELANEHCAR1DHFRTLR8NPEPPS | |
| SCHEMBL11050203 | 0.92 | HCAR1 (0.37) | ELANEHCAR1DHFRTLR8DAO | |
| SCHEMBL11056344 | 0.91 | EGFR (0.37) | ELANEHCAR1LMNAHPGDMAPT | |
| SCHEMBL11053171 | 0.91 | ELANE (0.33) | ELANEHCAR1DHFRTLR8DAO | |
| SCHEMBL11055480 | 0.88 | APLNR (0.39) | ELANEDHFRTLR8ROCK1SMN1; SMN2 | |
| SCHEMBL11051199 | 0.88 | ELANE (0.39) | ELANEDHFRALDH1A1LMNAHPGD | |
| SCHEMBL11056242 | 0.84 | HCAR1 (0.40) | ELANEHCAR1DHFRNPEPPSMAP3K14 | |
| SCHEMBL11053280 | 0.84 | TLR7 (0.37) | HCAR1DHFRTLR8CSNK1A1CSNK1D | |
| SCHEMBL11055617 | 0.83 | FGFR1 (0.39) | ELANEHCAR1ROCK1 |
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 |