Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 5/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.35 |
| ▸ | RELA | Q04206 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL31070228 | 0.82 | ALDH1A1 (0.51) | ALDH1A1KDM4ETDP1SLC2A1NPC1 | |
| SCHEMBL5217903 | 0.82 | ALDH1A1 (0.51) | ALDH1A1KDM4ETDP1SLC2A1NPC1 | |
| Fluoride SCHEMBL27614043 | 0.79 | ALDH1A1 (0.45) | ALDH1A1KDM4ETDP1SLC2A1NPC1 | |
| SCHEMBL8863043 | 0.78 | PTPN1 (0.48) | ALDH1A1KDM4ETDP1SLC2A1NPC1 | |
| SCHEMBL9911554 | 0.77 | ALDH1A1 (0.42) | ALDH1A1KDM4ETDP1SLC2A1NPC1 | |
| SCHEMBL29018989 | 0.74 | MAPT (0.33) | ALDH1A1KDM4ETDP1HPGDNPSR1 | |
| SCHEMBL2182689 | 0.74 | SMN1; SMN2 (0.43) | ALDH1A1KDM4EGAAHSD17B10LMNA | |
| SCHEMBL11615970 | 0.74 | MAPT (0.56) | ALDH1A1KDM4ENPC1RAB9AGAA | |
| SCHEMBL11620688 | 0.74 | HTT (0.43) | ALDH1A1KDM4ETDP1NPC1RAB9A | |
| SCHEMBL10672433 | 0.73 | CTDSP1 (0.46) | ALDH1A1KDM4ETDP1SLC2A1RAB9A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007109459-A2 | PYRIDINES AND PYRIDINE N-OXIDES AS MODULATORS OF THROMBIN | JANSSEN PHARMACEUTICA, NV (BE) | 2007-09-27 | — | — | WO | claimed |
| WO-2007109459-A2 | PYRIDINES AND PYRIDINE N-OXIDES AS MODULATORS OF THROMBIN | JANSSEN PHARMACEUTICA, NV (BE) | 2007-09-27 | — | — | WO | disclosed |