Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE3A | Q14432 | 7/20 | 0.66 |
| ▸ | PDE3B | Q13370 | 6/20 | 0.66 |
| ▸ | HPGD | P15428 | 3/20 | 0.66 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.66 |
| ▸ | PDE4A | P27815 | 2/20 | 0.66 |
| ▸ | BLM | P54132 | 2/20 | 0.66 |
| ▸ | PDE5A | O76074 | 1/20 | 0.66 |
| ▸ | LMNA | P02545 | 1/20 | 0.66 |
| ▸ | TSHR | P16473 | 1/20 | 0.66 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.66 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.66 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.66 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.66 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.66 |
| ▸ | GALR3 | O60755 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.58 |
| ▸ | GAA | P10253 | 1/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.53 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL10912708 | 0.84 | PDE3A (0.72) | PDE3APDE3BHPGDKDM4EPDE4A | |
| Milrinone SCHEMBL9301167 | 0.80 | PDE3A (1.00) | PDE3APDE3BHPGDKDM4EPDE4A | |
| Milrinone SCHEMBL9309054 | 0.80 | PDE3A (1.00) | PDE3APDE3BHPGDKDM4EPDE4A | |
| Milrinone SCHEMBL9247989 | 0.80 | PDE3A (1.00) | PDE3APDE3BHPGDKDM4EPDE4A | |
| Milrinone SCHEMBL36947 | 0.80 | PDE3A (1.00) | PDE3APDE3BHPGDKDM4EPDE4A | |
| SCHEMBL8263810 | 0.79 | PDE3A (0.64) | PDE3APDE3BHPGDKDM4EPDE4A | |
| Milrinone SCHEMBL28184205 | 0.79 | PDE3A (0.97) | PDE3APDE3BHPGDKDM4EPDE4A | |
| SCHEMBL8262415 | 0.78 | PDE3A (0.59) | PDE3APDE3BHPGDKDM4EPDE4A | |
| Milrinone SCHEMBL9132559 | 0.78 | PDE3A (0.94) | PDE3APDE3BHPGDKDM4EPDE4A | |
| Milrinone SCHEMBL1160021 | 0.78 | PDE3A (0.94) | PDE3APDE3BHPGDKDM4EPDE4A |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0095152-B1 | A PROCESS FOR PREPARING NICOTINONITRILES AND INTERMEDIATES USED THEREIN | STERLING DRUG INC. (US) | 1986-10-22 | — | — | EP | disclosed |
| EP-0075116-B1 | PROCESS FOR PREPARING 1,2-DIHYDRO-6-METHYL-2-OXO-5-(PYRIDINYL)NICOTINONITRILES | STERLING DRUG INC. (US) | 1985-05-22 | — | — | EP | disclosed |
| US-4469871-A | Process for preparing 2-(lower-alkoxy)-1-(pyridinyl) ethenyl lower-alkyl ketones | STERLING DRUG INC. (US) | 1984-09-04 | — | — | US | disclosed |
| EP-0095152-A1 | A process for preparing nicotinonitriles and intermediates used therein | STERLING DRUG INC. (US) | 1983-11-30 | — | — | EP | disclosed |
| US-4417054-A | 2-(Lower-alkoxy)-1-(pyridinyl)ethenyl lower-alkyl ketones | STERLING DRUG INC. (US) | 1983-11-22 | — | — | US | disclosed |
| US-4413127-A | Preparation of 1,2-dihydro-6-(lower alkyl)-2-oxo-5-(pyridinyl)nicotinonitriles | STERLING DRUG INC. (US) | 1983-11-01 | — | — | US | disclosed |
| US-4347363-A | Process for preparing 1,2-dihydro-6-methyl-2-oxo-5-(pyridinyl)nicotinonitriles | STERLING DRUG INC. (US) | 1982-08-31 | — | — | US | disclosed |