Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF20B | Q96Q89 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 4/20 | 0.36 |
| ▸ | SMYD3 | Q9H7B4 | 3/20 | 0.35 |
| ▸ | CDC25A | P30304 | 6/20 | 0.33 |
| ▸ | CDC25B | P30305 | 6/20 | 0.33 |
| ▸ | CDC25C | P30307 | 5/20 | 0.33 |
| ▸ | OXER1 | Q8TDS5 | 1/20 | 0.33 |
| ▸ | CYSLTR2 | Q9NS75 | 4/20 | 0.33 |
| ▸ | CYSLTR1 | Q9Y271 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7351031 | 0.81 | KIF20B (0.36) | KIF20BCDC25ACDC25BCDC25COXER1 | |
| SCHEMBL7346795 | 0.81 | KMT2A (0.43) | PARP1SMYD3 | |
| SCHEMBL7348083 | 0.80 | ALDH1A1 (0.47) | KIF20BPARP1 | |
| SCHEMBL10628852 | 0.78 | PARP1 (0.39) | PARP1SMYD3 | |
| SCHEMBL7342530 | 0.72 | PARP1 (0.48) | PARP1SMYD3 | |
| SCHEMBL6993989 | 0.72 | SMYD3 (0.53) | PARP1SMYD3 | |
| SCHEMBL7346349 | 0.71 | BRD4 (0.38) | — | |
| SCHEMBL7343821 | 0.65 | PARP1 (0.41) | PARP1SMYD3 | |
| SCHEMBL6999120 | 0.63 | SMYD3 (0.56) | PARP1SMYD3 | |
| SCHEMBL9589281 | 0.63 | PARP1 (0.51) | PARP1SMYD3 |
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 5 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 |
| US-4721784-A | MUSCLE RELAXANTS, BRONCHODILATOR AGENTS, CARDIOTONIC AGENTS | ORTHO PHARMACEUTICAL CORPORATION (US) | 1988-01-26 | — | — | US | disclosed |