Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1C | Q13936 | 1/20 | 0.39 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.33 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.33 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.33 |
| ▸ | GRIN2C | Q14957 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11053233 | 0.98 | CACNA1C (0.38) | CACNA1CSCN5ATP53GABRA1GABRB2 | |
| SCHEMBL10615590 | 0.94 | ALDH1A1 (0.41) | CACNA1CSCN5ATP53ALDH1A1TDP1 | |
| SCHEMBL10613030 | 0.90 | ALDH1A1 (0.38) | CACNA1CSCN5ATP53GABRA1GABRB2 | |
| SCHEMBL10614640 | 0.90 | TP53 (0.35) | CACNA1CSCN5ATP53ALDH1A1TDP1 | |
| SCHEMBL11057149 | 0.86 | CACNA1C (0.38) | CACNA1CSCN5ATP53GABRA1GABRB2 | |
| SCHEMBL10613079 | 0.85 | CYP3A4 (0.34) | CACNA1CSCN5ATP53ALDH1A1TDP1 | |
| SCHEMBL11060003 | 0.84 | GRIN2D (0.35) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL10612763 | 0.84 | PLAU (0.35) | SCN5AALDH1A1TDP1CYP3A4HSD17B10 | |
| SCHEMBL11054316 | 0.84 | TP53 (0.37) | CACNA1CSCN5ATP53GABRA1GABRB2 | |
| SCHEMBL11053228 | 0.84 | PTGES (0.36) | CACNA1CSCN5ATP53GABRA1GABRB2 |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4338441-A | CYCLIZATION OF AMIDINOUREA OR AMIDINOTHIOUREA WITH ACTIVE METHYLIDENE COMPOUND | WILLIAM H. RORER, INC. (US) | 1982-07-06 | — | — | US | claimed |
| US-4178387-A | ADMINISTERING AMIDINOUREAS | WILLIAM H. RORER, INC. (US) | 1979-12-11 | — | — | US | claimed |
| US-4452980-A | DIARRHEA | WILLIAM H. RORER, INC. (US) | 1984-06-05 | — | — | US | disclosed |
| US-4338441-A | CYCLIZATION OF AMIDINOUREA OR AMIDINOTHIOUREA WITH ACTIVE METHYLIDENE COMPOUND | WILLIAM H. RORER, INC. (US) | 1982-07-06 | — | — | US | disclosed |
| US-4298608-A | LOCAL ANESTHETICS | WILLIAM H. RORER, INC. (US) | 1981-11-03 | — | — | US | disclosed |
| EP-0026221-A4 | DYSMENORRHEA TREATMENT. | RORER INC WILLIAM H (US) | 1981-08-27 | — | — | EP | disclosed |
| US-4279928-A | Method of lowering blood pressure | WILLIAM H. RORER, INC. (US) | 1981-07-21 | — | — | US | disclosed |
| EP-0026221-A1 | DYSMENORRHEA TREATMENT | WILLIAM H. RORER, INC. (US) | 1981-04-08 | — | — | EP | disclosed |
| US-4246409-A | ANTIDIARRHEAL AGENTS | WILLIAM H. RORER, INC. (US) | 1981-01-20 | — | — | US | disclosed |
| US-4241087-A | AMIDINOUREAS | WILLIAM H. RORER, INC. (US) | 1980-12-23 | — | — | US | disclosed |
| WO-1980002110-A1 | DYSMENORRHEA TREATMENT | RORER INC WILLIAM H (US) | 1980-10-16 | — | — | WO | disclosed |
| US-4225315-A | Triazinones from amidinoureas | WILLIAM H. RORER, INC. (US) | 1980-09-30 | — | — | US | disclosed |
| US-4203983-A | GASTROINTESTINAL DISORDERS | WILLIAM H. RORER, INC. (US) | 1980-05-20 | — | — | US | disclosed |
| US-4203985-A | Antidiarrheal triazinones | WILLIAM H. RORER, INC. (US) | 1980-05-20 | — | — | US | disclosed |
| US-4203984-A | Antisecretory triazinones | WILLIAM H. RORER, INC. (US) | 1980-05-20 | — | — | US | disclosed |
| US-4198408-A | 1,4-DISUBSTITUTED-1,2-DIHYDRO-1,3,5-TRIHZIN-2-ONES | WILLIAM H. RORER, INC. (US) | 1980-04-15 | — | — | US | disclosed |
| US-4198409-A | ANTIDIARRHEAL | WILLIAM H. RORER, INC. (US) | 1980-04-15 | — | — | US | disclosed |
| US-4147804-A | ANTIARRHYTHMIA AGENTS | WILLIAM H. RORER, INC. (US) | 1979-04-03 | — | — | US | disclosed |