Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.39 |
| ▸ | GRM1 | Q13255 | 3/20 | 0.35 |
| ▸ | MAOA | P21397 | 3/20 | 0.33 |
| ▸ | MAOB | P27338 | 3/20 | 0.33 |
| ▸ | CHRNA7 | P36544 | 9/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | APAF1 | O14727 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | KDM4A | O75164 | 1/20 | 0.30 |
| ▸ | TDP2 | O95551 | 1/20 | 0.30 |
| ▸ | EGFR | P00533 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | THRB | P10828 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | PPARG | P37231 | 1/20 | 0.30 |
| ▸ | CASP3 | P42574 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | RECQL | P46063 | 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 | |
|---|---|---|---|---|
| SCHEMBL11059656 | 0.85 | HCAR1 (0.43) | HCAR1GRM1CHRNA7KDM4ETDP2 | |
| SCHEMBL11052461 | 0.82 | HCAR1 (0.40) | HCAR1GRM1CHRNA7 | |
| SCHEMBL11056926 | 0.81 | HCAR1 (0.46) | HCAR1CHRNA7POLBMAPK1CASP7 | |
| SCHEMBL11401770 | 0.80 | HCAR1 (0.39) | HCAR1CHRNA7KDM4ELMNAPOLB | |
| SCHEMBL11081536 | 0.80 | HCAR1 (0.39) | HCAR1GRM1CHRNA7 | |
| SCHEMBL11055505 | 0.80 | CHRNA7 (0.40) | HCAR1CHRNA7KDM4EMAPTMAPK1 | |
| Hydrochloric Acid SCHEMBL11056262 | 0.80 | HCAR1 (0.44) | HCAR1CHRNA7POLBMAPK1CASP7 | |
| SCHEMBL10541722 | 0.79 | HCAR1 (0.43) | HCAR1CHRNA7KDM4EPOLBKMT2A | |
| SCHEMBL11055971 | 0.78 | HCAR1 (0.36) | HCAR1CHRNA7 | |
| SCHEMBL11060209 | 0.75 | HCAR1 (0.41) | HCAR1MAPT |
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 |