Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | GRM5 | P41594 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.31 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.31 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.31 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL11053522 | 0.86 | GRM5 (0.36) | GRM5MAPTHTTHSP90AB1ROCK1 | |
| SCHEMBL11060314 | 0.78 | PI4KA (0.49) | HCAR1ALDH1A1HPGDHTTHSD17B10 | |
| SCHEMBL11060153 | 0.75 | ALDH1A1 (0.34) | HCAR1ALDH1A1LMNAHPGDROCK1 | |
| SCHEMBL11057586 | 0.71 | ELANE (0.36) | HCAR1ALDH1A1LMNAHPGDGRM5 | |
| SCHEMBL11056492 | 0.71 | KMT2A (0.37) | HCAR1ALDH1A1 | |
| SCHEMBL11059651 | 0.70 | HCAR1 (0.44) | HCAR1ALDH1A1LMNAHPGDPKM | |
| SCHEMBL11053109 | 0.70 | NPEPPS (0.36) | HCAR1ALDH1A1LMNAHPGDGRM5 | |
| SCHEMBL11050203 | 0.68 | HCAR1 (0.37) | HCAR1GRM5MAPTHTTKDM4E | |
| SCHEMBL11058224 | 0.67 | HCAR1 (0.41) | HCAR1HTTROCK1 | |
| SCHEMBL11056344 | 0.67 | EGFR (0.37) | HCAR1LMNAHPGDMAPTHTT |
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 |