Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFKB1 | P19838 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.48 |
| ▸ | MAOB | P27338 | 7/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | P4HB | P07237 | 1/20 | 0.42 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | BACE1 | P56817 | 1/20 | 0.40 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.40 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.40 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7316254 | 1.00 | NFKB1 (0.50) | NFKB1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7274769 | 1.00 | NFKB1 (0.50) | NFKB1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL9315407 | 0.92 | NFKB1 (0.54) | NFKB1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL8054505 | 0.83 | NFKB1 (0.53) | NFKB1MAOBLMNAP4HBABCG2 | |
| SCHEMBL8054503 | 0.83 | NFKB1 (0.53) | NFKB1MAOBLMNAP4HBABCG2 | |
| SCHEMBL9386421 | 0.83 | MAPT (0.48) | NFKB1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL10481034 | 0.83 | MAPT (0.48) | NFKB1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL10744797 | 0.83 | MAPT (0.48) | NFKB1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL10785285 | 0.80 | MEN1 (0.53) | NFKB1CYP1A2CYP2C9CYP2C19MAOB | |
| SCHEMBL7318008 | 0.80 | MEN1 (0.53) | NFKB1CYP1A2CYP2C9CYP2C19MAOB |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5202330-A | Hypotensive and cardiovascular agent, reduces blood pressure in mammals | E. R. SQUIBB & SONS, INC. (US) | 1993-04-13 | — | — | US | disclosed |
| EP-0237347-B1 | 1,2,3,4-Tetrahydro-6-substituted-4-aryl (or heterocyclo)-3-[(substituted amino)carbonyl]-2-thioxo (or oxo)-5-pyrimidinecarboxylic acids and esters | E.R. Squibb & Sons, Inc. (US) | 1991-06-12 | — | — | EP | disclosed |
| US-4855301-A | 1,2,3,4-Tetrahydro-6-substituted-4-aryl(or heterocyclo)-3-((substituted amino)carbonyl)-2-thioxo (or oxo)-5-pyrimidinecarboxylic acids and esters | E. R. SQUIBB & SONS, INC. (US) | 1989-08-08 | — | — | US | disclosed |
| US-4728652-A | VASODILATORS | E. R. SQUIBB & SONS, INC. (US) | 1988-03-01 | — | — | US | disclosed |
| EP-0237347-A2 | 1,2,3,4-Tetrahydro-6-substituted-4-aryl (or heterocyclo)-3-[(substituted amino)carbonyl]-2-thioxo (or oxo)-5-pyrimidinecarboxylic acids and esters | E.R. Squibb & Sons, Inc. (US) | 1987-09-16 | — | — | EP | disclosed |
| US-4654335-A | CARDIOVASCULAR AGENTS | E. R. SQUIBB & SONS, INC. (US) | 1987-03-31 | — | — | US | disclosed |
| EP-0208964-A2 | 1,5-Benzothiazepine compounds | E.R. Squibb & Sons, Inc. (US) | 1987-01-21 | — | — | EP | disclosed |
| EP-0204317-A2 | 2-Thio or oxo-4-aryl or heterocyclo-1,5(2H)-pyrimidinedicarboxylic acid diesters and 3-acyl-5-pyrimidinecarboxylic acids and esters | E.R. Squibb & Sons, Inc. (US) | 1986-12-10 | — | — | EP | disclosed |
| EP-0202654-A2 | 5-Carboxy-1,4-dihydropyrimidine derivatives | E.R. Squibb & Sons, Inc. (US) | 1986-11-26 | — | — | EP | disclosed |