Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | CPN1 | P15169 | 2/20 | 0.40 |
| ▸ | CPB2 | Q96IY4 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 3/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | GRM8 | O00222 | 1/20 | 0.39 |
| ▸ | GRM7 | Q14831 | 1/20 | 0.39 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL23064503 | 0.83 | KMT2A (0.51) | CYP2C19CPN1CPB2POLBTDP1 | |
| SCHEMBL3308217 | 0.82 | CYP2C19 (0.69) | CYP2C19CPN1CPB2POLBSMN1; SMN2 | |
| SCHEMBL1147878 | 0.81 | POLB (0.50) | CYP2C19POLBSMN1; SMN2CNR2L3MBTL1 | |
| SCHEMBL15546561 | 0.81 | KMT2A (0.54) | CYP2C19POLBKMT2ACYP2D6 | |
| SCHEMBL7244501 | 0.81 | CYP2C19 (0.49) | CYP2C19CPN1CPB2POLBTDP1 | |
| SCHEMBL7347852 | 0.80 | CYP2C19 (0.56) | CYP2C19SMN1; SMN2GAAPTGS1PTGS2 | |
| SCHEMBL1893011 | 0.77 | AKR1C3 (0.51) | CYP2C19POLBTDP1CNR2L3MBTL1 | |
| SCHEMBL27772028 | 0.77 | KDM4E (0.40) | CYP2C19CPN1CPB2SMN1; SMN2ALDH1A1 | |
| SCHEMBL262459 | 0.77 | AKR1C3 (0.50) | CPN1CPB2POLBTDP1SMN1; SMN2 | |
| SCHEMBL2386999 | 0.77 | L3MBTL1 (0.61) | CYP2C19CPN1CPB2POLBTDP1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0509845-A1 | (+) and (-) enantiomers of 5-aliphatic-6-(benzoxazinyl- or benzothiazinyl)-2,3,4,5-tetrahydropyridazin-3-ones | ORTHO PHARMACEUTICAL CORPORATION (US) | 1992-10-21 | — | — | EP | disclosed |
| US-5081242-A | Cardiotonic and bronchodilator agents; phosphodiesterase inhibitors | ORTHO PHARMACEUTICAL CORPORATION (US) | 1992-01-14 | — | — | US | disclosed |
| US-4766118-A | CARDIOTONIC AGENTS, PHOSPHODIESTERASE INHIBITORS | ORTHO PHARMACEUTICAL CORPORATION (US) | 1988-08-23 | — | — | US | disclosed |
| EP-0272914-A2 | 6-Benzoxazinyl- and 6-benzothiazinyl-2,3,4,5-tetrahydropyridazin-3-ones | ORTHO PHARMACEUTICAL CORPORATION (US) | 1988-06-29 | — | — | EP | disclosed |