Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 2/20 | 0.47 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 7/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.40 |
| ▸ | MEN1 | O00255 | 6/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.40 |
| ▸ | RAB9A | P51151 | 6/20 | 0.40 |
| ▸ | NPC1 | O15118 | 5/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 4/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | DRD4 | P21917 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | NFKB2 | Q00653 | 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 | |
|---|---|---|---|---|
| SCHEMBL3072602 | 0.79 | PARP1 (0.53) | PARP1TRPV1ALDH1A1GAAKDM4E | |
| SCHEMBL20762474 | 0.77 | PARP1 (0.55) | PARP1TRPV1SMN1; SMN2ALDH1A1MEN1 | |
| SCHEMBL3884588 | 0.70 | PARP1 (0.59) | PARP1ALDH1A1GAAKDM4EHTT | |
| SCHEMBL353891 | 0.69 | PARP1 (0.56) | PARP1GAAMGAMSIMGAM2 | |
| SCHEMBL20936149 | 0.69 | PARP1 (0.56) | PARP1SMN1; SMN2ALDH1A1RAB9ANPC1 | |
| SCHEMBL7611919 | 0.69 | CYP3A4 (0.53) | PARP1TRPV1MEN1KMT2AGAA | |
| SCHEMBL7610690 | 0.69 | DRD2 (0.56) | PARP1SMN1; SMN2MEN1KMT2ARAB9A | |
| SCHEMBL13544690 | 0.68 | PARP1 (0.73) | PARP1KDM4EHPGDDHODH | |
| SCHEMBL8569632 | 0.68 | TRPV1 (0.58) | PARP1TRPV1MAPTSMN1; SMN2MEN1 | |
| Bromide SCHEMBL5318091 | 0.68 | PARP1 (0.55) | PARP1GAAMGAMSIMGAM2 |
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-1998043649-A2 | AGE PRODUCTION INHIBITORY COMPOSITION COMPRISING A MAILLARD REACTION INHIBITOR AND VITAMIN B¿6? | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1998-10-08 | — | — | WO | disclosed |