Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HCAR1 | Q9BXC0 | 2/20 | 0.38 |
| ▸ | ANPEP | P15144 | 4/20 | 0.37 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.35 |
| ▸ | P2RX2 | Q9UBL9 | 1/20 | 0.35 |
| ▸ | DPP4 | P27487 | 5/20 | 0.33 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.33 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.33 |
| ▸ | DHFR | P00374 | 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 | |
|---|---|---|---|---|
| SCHEMBL11052581 | 0.87 | HCAR1 (0.48) | ALDH1A1HCAR1ANPEPDPP4 | |
| SCHEMBL11059558 | 0.85 | FGFR1 (0.38) | ALDH1A1HCAR1ANPEPP2RX3P2RX2 | |
| SCHEMBL11059375 | 0.81 | HCAR1 (0.40) | HCAR1ANPEPDPP4 | |
| SCHEMBL11054591 | 0.81 | CHRNA7 (0.46) | HCAR1 | |
| SCHEMBL11056242 | 0.81 | HCAR1 (0.40) | HCAR1ANPEPDPP4DHFR | |
| SCHEMBL11054450 | 0.81 | HCAR1 (0.40) | HCAR1DPP4 | |
| SCHEMBL11056476 | 0.81 | HCAR1 (0.40) | ALDH1A1HCAR1ANPEPDPP4 | |
| SCHEMBL11054891 | 0.79 | PKM (0.41) | ALDH1A1HCAR1DHFR | |
| SCHEMBL11057681 | 0.78 | APLNR (0.39) | ALDH1A1ALOX15TSHRHCAR1 | |
| SCHEMBL11060075 | 0.77 | HCAR1 (0.37) | ALDH1A1HCAR1 |
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 |