Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | ALOX12 | P18054 | 5/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 3/20 | 0.40 |
| ▸ | ALPL | P05186 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11137837 | 0.95 | ALDH1A1 (0.52) | ALDH1A1ALOX12SMN1; SMN2L3MBTL1KMT2A | |
| SCHEMBL11060139 | 0.86 | ALDH1A1 (0.45) | ALDH1A1ALOX12SMN1; SMN2L3MBTL1KMT2A | |
| SCHEMBL11057730 | 0.85 | ALDH1A1 (0.35) | ALDH1A1ALOX12SMN1; SMN2KMT2AGAA | |
| SCHEMBL11057847 | 0.83 | SMN1; SMN2 (0.41) | ALDH1A1ALOX12SMN1; SMN2L3MBTL1MAPT | |
| SCHEMBL11056570 | 0.82 | SMN1; SMN2 (0.37) | ALDH1A1ALOX12SMN1; SMN2L3MBTL1HPGD | |
| SCHEMBL11058459 | 0.81 | KMT2A (0.43) | ALDH1A1ALOX12SMN1; SMN2L3MBTL1KMT2A | |
| SCHEMBL11056525 | 0.81 | ALDH1A1 (0.47) | ALDH1A1ALOX12SMN1; SMN2KMT2AMAPT | |
| SCHEMBL11060096 | 0.81 | ALDH1A1 (0.36) | ALDH1A1ALOX12SMN1; SMN2L3MBTL1GAA | |
| SCHEMBL11051176 | 0.81 | ALDH1A1 (0.32) | ALDH1A1ALOX12SMN1; SMN2GAAMAPT | |
| Hydrochloric Acid SCHEMBL11141378 | 0.80 | GRIN2D (0.35) | ALDH1A1ALOX12SMN1; SMN2L3MBTL1GAA |
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 |