Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMYD3 | Q9H7B4 | 4/20 | 0.53 |
| ▸ | PARP1 | P09874 | 7/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.43 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7342530 | 0.90 | PARP1 (0.48) | SMYD3PARP1PKMTSHRALDH1A1 | |
| SCHEMBL7713275 | 0.86 | PKM (0.46) | SMYD3PARP1PKMTSHRALDH1A1 | |
| SCHEMBL6999120 | 0.85 | SMYD3 (0.56) | SMYD3PARP1ALDH1A1PDE3BPDE3A | |
| SCHEMBL7000207 | 0.84 | SMYD3 (0.58) | SMYD3PARP1ALDH1A1PDE3BPDE3A | |
| SCHEMBL2818354 | 0.84 | SMYD3 (0.62) | SMYD3PARP1PDE3BPDE3A | |
| SCHEMBL2882943 | 0.84 | SMYD3 (0.62) | SMYD3PARP1PDE3BPDE3A | |
| SCHEMBL7346795 | 0.81 | KMT2A (0.43) | SMYD3PARP1PDE3BPDE3AKMT2A | |
| SCHEMBL19691113 | 0.81 | SMYD3 (0.62) | SMYD3PARP1TSHRALDH1A1PDE3B | |
| SCHEMBL531718 | 0.81 | PARP1 (0.60) | SMYD3PARP1TSHRALDH1A1PDE3B | |
| SCHEMBL7001011 | 0.80 | SMYD3 (0.48) | SMYD3PARP1ALDH1A1PDE3BPDE3A |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1015437-B1 | BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND THEIR USE IN PHARMACEUTICALS | SCHERING AG (DE) | 2003-12-03 | — | — | EP | disclosed |
| US-6365736-B1 | TREATMENT OF NERVOUS SYSTEM DISORDERS, CARDIOVASCULAR DISORDERS AND FOR ACTIVITY AS NO-SYNTHASES (NOS) INHIBITORS. | SCHERING AKTIENGESELLSCHAFT (DE) | 2002-04-02 | — | — | US | disclosed |
| CN-1071427-A | 6-Benzoxazinyl and 6-benzothiazine base-2,3,4,5-tetrahydro pyridazine-3-ketone | ORTHO PHARMA CORP (US) | 1993-04-28 | — | — | CN | disclosed |
| 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 |
| CN-87108354-A | 6-benzoxazinyl and 6-benzothiazinyl-2, 3, 4, 5-tetrahydropyridazin-3-ones | — | 1988-09-21 | — | — | CN | 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 |