Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 2/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 6/20 | 0.37 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.37 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.36 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.35 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP2C8 | P10632 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11621375 | 0.87 | PDE3B (0.36) | PTGS2PTGS1PDE3BPDE3ASIGMAR1 | |
| SCHEMBL19371191 | 0.77 | SIGMAR1 (0.35) | SIGMAR1TDP1 | |
| SCHEMBL11620925 | 0.77 | MEN1 (0.31) | — | |
| SCHEMBL11619745 | 0.77 | CYP11B2 (0.34) | PTGS2PTGS1CYP11B2CYP11B1CYP17A1 | |
| SCHEMBL11619747 | 0.77 | CYP11B2 (0.34) | PTGS2PTGS1CYP11B2CYP11B1CYP17A1 | |
| SCHEMBL31678641 | 0.76 | ALDH1A1 (0.39) | CYP2A6 | |
| SCHEMBL11279823 | 0.73 | MAPK14 (0.41) | CYP11B2CYP11B1SIGMAR1 | |
| SCHEMBL1711669 | 0.73 | MEN1 (0.41) | CYP11B2CYP11B1 | |
| SCHEMBL11622684 | 0.71 | NOS3 (0.32) | — | |
| SCHEMBL11623144 | 0.71 | MKNK1 (0.39) | PDE3BPDE3ATDP1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4127583-A | Preparation of 3-(pyridinyl)-2-cyclohexene-1-ones | STERLING DRUG INC. (US) | 1978-11-28 | — | — | US | disclosed |
| US-4111946-A | Preparation of 3-(pyridinyl)-2-cyclohexen-1-ones | STERLING DRUG INC. (US) | 1978-09-05 | — | — | US | disclosed |
| US-4075217-A | Conversion of 3-(pyridinyl)-2-cyclohexen-1-one to 3-(pyridinyl)anilines | STERLING DRUG INC. (US) | 1978-02-21 | — | — | US | disclosed |
| US-4026900-A | 3-(Pyridinyl)-2-cyclohexen-1-ones | STERLING DRUG INC. (US) | 1977-05-31 | — | — | US | disclosed |