Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDCD1 | Q15116 | 1/20 | 0.51 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.51 |
| ▸ | FBP1 | P09467 | 3/20 | 0.50 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.46 |
| ▸ | P4HB | P07237 | 8/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.42 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.42 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.42 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.42 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.42 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.42 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.42 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9475839 | 1.00 | PDCD1 (0.51) | PDCD1CD274FBP1GLO1P4HB | |
| Balazipone SCHEMBL636109 | 0.92 | PDCD1 (0.55) | PDCD1CD274FBP1GLO1P4HB | |
| SCHEMBL6981746 | 0.86 | AKR1C3 (0.59) | PDCD1CD274FBP1P4HBKDM4E | |
| SCHEMBL28372992 | 0.86 | AKR1C3 (0.59) | PDCD1CD274FBP1P4HBKDM4E | |
| SCHEMBL3115027 | 0.86 | AKR1C3 (0.59) | PDCD1CD274FBP1P4HBKDM4E | |
| SCHEMBL9842162 | 0.85 | GLO1 (0.46) | PDCD1CD274GLO1KDM4EHTT | |
| SCHEMBL9842160 | 0.85 | GLO1 (0.46) | PDCD1CD274GLO1KDM4EHTT | |
| SCHEMBL6947906 | 0.84 | PDCD1 (0.54) | PDCD1CD274FBP1GLO1P4HB | |
| SCHEMBL6947909 | 0.84 | PDCD1 (0.54) | PDCD1CD274FBP1GLO1P4HB | |
| SCHEMBL10848993 | 0.81 | PDCD1 (0.71) | PDCD1CD274FBP1GLO1KDM4E |
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 2 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-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 |