Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.33 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL10675744 | 0.81 | DRD2 (0.38) | TRPA1CYP3A4CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL10377556 | 0.77 | ALDH1A1 (0.52) | MAPTALDH1A1HPGD | |
| SCHEMBL10378560 | 0.77 | MAPT (0.47) | MAPTKDM4EMEN1ALDH1A1CYP1A2 | |
| SCHEMBL10378565 | 0.76 | MAPT (0.47) | CYP3A4MAPTKDM4EMEN1ALDH1A1 | |
| SCHEMBL10808370 | 0.76 | DRD2 (0.33) | TRPA1CYP3A4DRD2MAPTKDM4E | |
| SCHEMBL10808373 | 0.76 | DRD2 (0.33) | TRPA1CYP3A4DRD2MAPTKDM4E | |
| SCHEMBL10377589 | 0.74 | MAPT (0.46) | MAPTMEN1HPGDKMT2A | |
| SCHEMBL10378678 | 0.74 | GRM5 (0.43) | MAPTMEN1ALDH1A1KMT2A | |
| SCHEMBL10378571 | 0.74 | NR4A1 (0.45) | MAPTMEN1HPGDKMT2A | |
| SCHEMBL10807248 | 0.74 | KDM4E (0.43) | CYP3A4MAPTKDM4EMEN1ALDH1A1 |
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-4650806-A | Cardiotonic 5-(heterylcarbonyl)-pyridones | STERLING DRUG INC. (US) | 1987-03-17 | — | — | US | disclosed |
| EP-0191298-A2 | 1,6 -Naphthyridin-2(1H) - ones useful as cardiotonics and preparation thereof | STERLING DRUG INC. (US) | 1986-08-20 | — | — | EP | disclosed |
| US-4567186-A | 5-Heteryl-1,6-naphthyridin-2(1H)-ones, cardiotonic use thereof and intermediates therefor | STERLING DRUG INC. (US) | 1986-01-28 | — | — | US | disclosed |