Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 3/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 6/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL11056570 | 0.96 | SMN1; SMN2 (0.37) | ALDH1A1SMN1; SMN2ALOX12RAB9AACHE | |
| SCHEMBL11057720 | 0.89 | ALDH1A1 (0.39) | ALDH1A1SMN1; SMN2ALOX12OPRM1TP53 | |
| SCHEMBL11057847 | 0.87 | SMN1; SMN2 (0.41) | ALDH1A1SMN1; SMN2ALOX12RAB9AACHE | |
| SCHEMBL11055968 | 0.85 | SMN1; SMN2 (0.39) | ALDH1A1SMN1; SMN2OPRM1TP53CYP3A4 | |
| SCHEMBL11137837 | 0.83 | ALDH1A1 (0.52) | ALDH1A1SMN1; SMN2ALOX12RAB9AHPGD | |
| Hydrochloric Acid SCHEMBL11558027 | 0.81 | SMN1; SMN2 (0.39) | ALDH1A1SMN1; SMN2ALOX12CYP3A4RAB9A | |
| SCHEMBL11061749 | 0.80 | SMN1; SMN2 (0.40) | ALDH1A1SMN1; SMN2ALOX12ACHELMNA | |
| SCHEMBL11061902 | 0.80 | SMN1; SMN2 (0.41) | ALDH1A1SMN1; SMN2ALOX12OPRM1TP53 | |
| SCHEMBL11057749 | 0.80 | ALDH1A1 (0.46) | ALDH1A1SMN1; SMN2TP53LMNAHPGD | |
| SCHEMBL11054052 | 0.79 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2ALOX12RAB9ALMNA |
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-4418209-A | ANTIULCER, ANTIARRYTHMIC, ANTIDIARRHEAL, ANTISPASMODIC, ANTIPARASITIC, AND ANTISECRETORY AGENTS | WILLIAM H. RORER, INC. (US) | 1983-11-29 | — | — | 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 |