Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR1 | Q9BXC0 | 4/20 | 0.40 |
| ▸ | DPP4 | P27487 | 2/20 | 0.33 |
| ▸ | WEE1 | P30291 | 1/20 | 0.33 |
| ▸ | ANPEP | P15144 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | CHRNA7 | P36544 | 4/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.32 |
| ▸ | XDH | P47989 | 1/20 | 0.32 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.31 |
| ▸ | PKMYT1 | Q99640 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL11052581 | 0.90 | HCAR1 (0.48) | HCAR1DPP4ANPEPKMT2ACHRNA7 | |
| SCHEMBL11055375 | 0.84 | GABRA1 (0.36) | HCAR1DPP4ANPEPALDH1A1FGFR1 | |
| SCHEMBL11054591 | 0.83 | CHRNA7 (0.46) | HCAR1KMT2ACHRNA7FGFR1 | |
| SCHEMBL11059375 | 0.83 | HCAR1 (0.40) | HCAR1DPP4ANPEPKMT2ACHRNA7 | |
| SCHEMBL11056242 | 0.83 | HCAR1 (0.40) | HCAR1DPP4ANPEPKMT2ACHRNA7 | |
| SCHEMBL11054450 | 0.83 | HCAR1 (0.40) | HCAR1DPP4CHRNA7PDE7A | |
| SCHEMBL11053171 | 0.81 | ELANE (0.33) | HCAR1ALDH1A1 | |
| SCHEMBL11057681 | 0.81 | APLNR (0.39) | HCAR1KMT2AALDH1A1FGFR1 | |
| SCHEMBL11053236 | 0.81 | HCAR1 (0.38) | HCAR1WEE1KMT2ACHRNA7ALDH1A1 | |
| SCHEMBL11057576 | 0.81 | ALDH1A1 (0.39) | HCAR1DPP4ANPEPALDH1A1 |
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 |