Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 9/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | F10 | P00742 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.34 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11055968 | 0.96 | SMN1; SMN2 (0.39) | ALDH1A1TP53CYP3A4TDP1OPRM1 | |
| Hydrochloric Acid SCHEMBL11558027 | 0.92 | SMN1; SMN2 (0.39) | ALDH1A1CYP3A4SMN1; SMN2LMNAL3MBTL1 | |
| SCHEMBL11061902 | 0.91 | SMN1; SMN2 (0.41) | ALDH1A1TP53CYP3A4TDP1OPRM1 | |
| SCHEMBL11056986 | 0.89 | ALDH1A1 (0.38) | ALDH1A1TP53CYP3A4TDP1OPRM1 | |
| SCHEMBL11053014 | 0.88 | SMN1; SMN2 (0.36) | CYP3A4OPRM1SMN1; SMN2LMNAL3MBTL1 | |
| SCHEMBL11056622 | 0.88 | OPRM1 (0.38) | CYP3A4OPRM1SMN1; SMN2LMNAL3MBTL1 | |
| SCHEMBL11054620 | 0.86 | SMN1; SMN2 (0.44) | ALDH1A1TP53CYP3A4TDP1SMN1; SMN2 | |
| SCHEMBL11056570 | 0.85 | SMN1; SMN2 (0.37) | ALDH1A1SMN1; SMN2LMNAL3MBTL1HPGD | |
| SCHEMBL11096045 | 0.84 | ALDH1A1 (0.41) | ALDH1A1TP53CYP3A4TDP1SMN1; SMN2 | |
| SCHEMBL11056525 | 0.83 | ALDH1A1 (0.47) | ALDH1A1OPRM1SMN1; SMN2LMNAHTT |
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 |