Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.34 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.34 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.34 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.34 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.34 |
| ▸ | PTGES | O14684 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11054316 | 0.95 | TP53 (0.37) | ALDH1A1TP53TDP1CYP3A4MEN1 | |
| SCHEMBL11056672 | 0.93 | POLB (0.41) | ALDH1A1TP53TDP1CYP3A4ESR1 | |
| SCHEMBL11057738 | 0.91 | TDP1 (0.39) | ALDH1A1TP53TDP1CYP3A4MEN1 | |
| Hydrochloric Acid SCHEMBL11565511 | 0.91 | GABRG2 (0.36) | ALDH1A1TP53TDP1CYP3A4GABRG2 | |
| SCHEMBL11056380 | 0.90 | ALDH1A1 (0.40) | ALDH1A1TP53TDP1CYP3A4ESR1 | |
| SCHEMBL11096045 | 0.88 | ALDH1A1 (0.41) | ALDH1A1TP53TDP1CYP3A4MEN1 | |
| SCHEMBL11053069 | 0.87 | POLB (0.45) | ALDH1A1TP53TDP1MEN1KMT2A | |
| SCHEMBL11060262 | 0.86 | NR1I2 (0.38) | ALDH1A1TP53TDP1CYP3A4MEN1 | |
| SCHEMBL11057304 | 0.86 | L3MBTL1 (0.38) | ALDH1A1TP53TDP1CYP3A4KMT2A | |
| SCHEMBL11054409 | 0.86 | ESR1 (0.39) | ALDH1A1TP53TDP1CYP3A4ESR1 |
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 4 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 |
| US-4147804-A | ANTIARRHYTHMIA AGENTS | WILLIAM H. RORER, INC. (US) | 1979-04-03 | — | — | US | disclosed |