Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.56 |
| ▸ | MAOB | P27338 | 10/20 | 0.54 |
| ▸ | MAOA | P21397 | 9/20 | 0.54 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9730975 | 0.90 | HTT (0.70) | HTTMAOBMAOAALDH1A1LMNA | |
| SCHEMBL7489249 | 0.83 | MAOB (0.56) | HTTMAOBMAOAEPHX2ALDH1A1 | |
| SCHEMBL8786235 | 0.83 | MAOB (0.56) | HTTMAOBMAOAEPHX2ALDH1A1 | |
| SCHEMBL3006703 | 0.82 | HTT (0.79) | HTTMAOBMAOAEPHX2ALDH1A1 | |
| SCHEMBL8786021 | 0.78 | MAOB (0.61) | HTTMAOBMAOAEPHX2ALDH1A1 | |
| SCHEMBL4653865 | 0.77 | HTT (0.62) | HTTMAOBMAOAEPHX2ALDH1A1 | |
| SCHEMBL8923643 | 0.77 | HTT (0.49) | HTTMAOBMAOAEPHX2ALDH1A1 | |
| SCHEMBL9730392 | 0.76 | HTT (0.51) | HTTMAOBMAOAEPHX2ALDH1A1 | |
| SCHEMBL10863355 | 0.75 | HTT (0.63) | HTTMAOBMAOAALDH1A1LMNA | |
| SCHEMBL22226781 | 0.74 | LMNA (0.82) | HTTMAOBMAOAEPHX2ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |