Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.34 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | F2R | P25116 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | AR | P10275 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL20714562 | 0.84 | PDE3B (0.42) | ALDH1A1PDE3BPDE3AKMT2AMEN1 | |
| SCHEMBL20714563 | 0.84 | PDE3B (0.42) | ALDH1A1PDE3BPDE3AKDM4EMAPT | |
| SCHEMBL22317551 | 0.75 | S1PR1 (0.41) | ALDH1A1PDE3BPDE3AKDM4ESMN1; SMN2 | |
| SCHEMBL20716139 | 0.75 | PDE3B (0.41) | ALDH1A1PDE3BPDE3AKDM4EMAPT | |
| SCHEMBL20714424 | 0.74 | S1PR1 (0.37) | SMN1; SMN2ARSLC9A1HPGD | |
| SCHEMBL10283798 | 0.70 | SMN1; SMN2 (0.56) | ALDH1A1KDM4ESMN1; SMN2MAPTKMT2A | |
| SCHEMBL20716460 | 0.70 | NPFFR2 (0.42) | ALDH1A1 | |
| SCHEMBL20716132 | 0.70 | TAS1R3 (0.39) | — | |
| SCHEMBL21969831 | 0.69 | SMN1; SMN2 (0.39) | ALDH1A1KDM4ESMN1; SMN2MAPTKMT2A | |
| SCHEMBL7166120 | 0.69 | APP (0.54) | APPALDH1A1PDE3BPDE3AKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019025554-A1 | 6-PHENYL-4,5-DIHYDROPYRIDAZIN-3(2H)-ONE DERIVATIVES AS PDE3A AND PDE3B INHIBITORS FOR TREATING CANCER | BAYER AKTIENGESELLSCHAFT (DE) | 2019-02-07 | — | — | WO | disclosed |