Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE7A | Q13946 | 12/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | PDE7B | Q9NP56 | 2/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | CUL4A | Q13619 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2421409 | 0.85 | PDE7A (0.49) | PDE7ASMN1; SMN2ALDH1A1MAPTHPGD | |
| SCHEMBL8642795 | 0.84 | SMN1; SMN2 (0.48) | PDE7ASMN1; SMN2ALDH1A1MAPTHPGD | |
| SCHEMBL8641570 | 0.83 | TDP1 (0.40) | PDE7ASMN1; SMN2ALDH1A1MAPTKDM4E | |
| SCHEMBL8641177 | 0.81 | LMNA (0.43) | PDE7ASMN1; SMN2ALDH1A1MAPTKDM4E | |
| SCHEMBL8645461 | 0.79 | ALDH1A1 (0.46) | PDE7ASMN1; SMN2ALDH1A1MAPTHPGD | |
| SCHEMBL8642759 | 0.77 | CYP19A1 (0.42) | SMN1; SMN2ALDH1A1MAPTHPGDKDM4E | |
| SCHEMBL2415981 | 0.74 | TDP1 (0.44) | PDE7ASMN1; SMN2ALDH1A1MAPTHPGD | |
| SCHEMBL2960443 | 0.73 | PDE7A (0.71) | PDE7AALDH1A1MAPTPDE7BTDP1 | |
| SCHEMBL618153 | 0.73 | TDP1 (0.54) | SMN1; SMN2ALDH1A1HPGDTDP1TSHR | |
| SCHEMBL2413571 | 0.72 | SMN1; SMN2 (0.46) | PDE7ASMN1; SMN2ALDH1A1MAPTHPGD |
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-5723452-A | Therapeutic benzonitriles | GLAXO WELLCOME INC. (US) | 1998-03-03 | — | — | US | disclosed |