Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TGFBR1 | P36897 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | GRM5 | P41594 | 1/20 | 0.35 |
| ▸ | CCR1 | P32246 | 1/20 | 0.35 |
| ▸ | CCR8 | P51685 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.33 |
| ▸ | CASP7 | P55210 | 1/20 | 0.33 |
| ▸ | SIK2 | Q9H0K1 | 1/20 | 0.33 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.32 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.32 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.32 |
| ▸ | PDE5A | O76074 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11239015 | 0.79 | PDE3B (0.41) | TGFBR1CCR1CCR8SIK2PDE5A | |
| SCHEMBL11242528 | 0.79 | CCR1 (0.40) | TGFBR1CCR1CCR8SIK2CDK5 | |
| SCHEMBL11241754 | 0.76 | SORT1 (0.40) | TGFBR1POLBCCR1CCR8CDK5 | |
| SCHEMBL11235398 | 0.76 | GAA (0.45) | TGFBR1MEN1KMT2ACCR1CCR8 | |
| SCHEMBL11251060 | 0.75 | TGFBR1 (0.43) | TGFBR1CCR1CCR8CDK5CDK5R1 | |
| SCHEMBL11231230 | 0.72 | CCR1 (0.44) | TGFBR1CCR1CCR8SIK2BRS3 | |
| SCHEMBL21620602 | 0.67 | JAK2 (0.35) | TGFBR1SIK2CDK5CDK5R1 | |
| SCHEMBL21620633 | 0.67 | TGFBR1 (0.49) | TGFBR1CDK5CDK5R1MAPK14 | |
| Hydrochloric Acid SCHEMBL9432255 | 0.64 | DAO (0.55) | KMT2A | |
| SCHEMBL11239007 | 0.63 | PDE3B (0.58) | KMT2AMAPTPDE10ACDK5CDK5R1 |
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-4365065-A | 1-(Pyridinyl)-2-(dimethylamino)ethenyl lower-alkyl ketones | STERLING DRUG INC. (US) | 1982-12-21 | — | — | US | disclosed |
| US-4313951-A | 3-Substituted-6-(lower-alkyl)-5-(pyridinyl)-2(1H)-pyridinones, their cardiotonic use and intermediates therefor | STERLING DRUG INC. (US) | 1982-02-02 | — | — | US | disclosed |