Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.37 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.37 |
| ▸ | DRD1 | P21728 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL11337546 | 0.86 | KMT2A (0.40) | KMT2AALDH1A1GPR55CYP3A4MEN1 | |
| SCHEMBL11262310 | 0.81 | KMT2A (0.59) | KMT2AALDH1A1CYP2C19CYP3A4MEN1 | |
| SCHEMBL11260852 | 0.81 | OPRM1 (0.46) | KMT2AALDH1A1CYP2C19MEN1THRB | |
| SCHEMBL11268982 | 0.81 | CYP3A4 (0.40) | KMT2AALDH1A1CYP2C19CYP3A4MEN1 | |
| SCHEMBL11249228 | 0.76 | ALDH1A1 (0.39) | KMT2AALDH1A1CYP2C19CYP3A4THRB | |
| SCHEMBL11263287 | 0.75 | KMT2A (0.48) | KMT2AALDH1A1CYP2C19CYP3A4MEN1 | |
| SCHEMBL3697021 | 0.73 | CASP1 (0.45) | KMT2AALDH1A1CYP2C19THRBNR1I2 | |
| SCHEMBL11393611 | 0.73 | ALDH1A1 (0.36) | KMT2AALDH1A1CYP2C19CYP3A4THRB | |
| Ozone SCHEMBL11388736 | 0.73 | ALDH1A1 (0.36) | KMT2AALDH1A1CYP2C19CYP3A4THRB | |
| SCHEMBL11265307 | 0.73 | ALDH1A1 (0.36) | KMT2AALDH1A1CYP2C19CYP3A4THRB |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4360520-A | 1,4-Dihydropyridazine compounds, and their medicinal use | BAYER AKTIENGESELLSCHAFT (DE) | 1982-11-23 | — | — | US | disclosed |