Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | PTGES | O14684 | 4/20 | 0.34 |
| ▸ | MEN1 | O00255 | 4/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.33 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11053228 | 0.95 | PTGES (0.36) | ALDH1A1TP53TDP1CYP3A4PTGES | |
| SCHEMBL11135608 | 0.89 | ALDH1A1 (0.35) | ALDH1A1PTGESMEN1KMT2AHTT | |
| Hydrochloric Acid SCHEMBL11140114 | 0.88 | ALDH1A1 (0.35) | ALDH1A1PTGESMEN1KMT2AHTT | |
| SCHEMBL10615590 | 0.85 | ALDH1A1 (0.41) | ALDH1A1TP53TDP1CYP3A4MEN1 | |
| SCHEMBL11061778 | 0.85 | ALDH1A1 (0.38) | ALDH1A1TP53TDP1CYP3A4MEN1 | |
| SCHEMBL11056380 | 0.84 | ALDH1A1 (0.40) | ALDH1A1TP53TDP1CYP3A4MEN1 | |
| SCHEMBL11053340 | 0.83 | ALDH1A1 (0.36) | ALDH1A1PTGESSMN1; SMN2ESR1MAPT | |
| SCHEMBL11053093 | 0.83 | PTGES (0.36) | ALDH1A1PTGESMEN1KMT2AHTT | |
| SCHEMBL11054047 | 0.83 | ALDH1A1 (0.40) | ALDH1A1TP53TDP1CYP3A4MEN1 | |
| SCHEMBL6698678 | 0.82 | TP53 (0.45) | ALDH1A1TP53TDP1CYP3A4MEN1 |
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 |