Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | THPO | P40225 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | MMP12 | P39900 | 1/20 | 0.33 |
| ▸ | CRAT | P43155 | 1/20 | 0.33 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL8865363 | 0.87 | ALDH1A1 (0.54) | ALDH1A1KDM4ENFKB1MAPTTHRB | |
| SCHEMBL8865366 | 0.87 | ALDH1A1 (0.54) | ALDH1A1KDM4ENFKB1MAPTTHRB | |
| SCHEMBL6218251 | 0.81 | — | — | |
| SCHEMBL200454 | 0.77 | — | — | |
| SCHEMBL10401863 | 0.77 | KDM4E (0.37) | ALDH1A1KDM4ENFKB1MAPTTHRB | |
| SCHEMBL10617016 | 0.77 | — | — | |
| SCHEMBL9616824 | 0.77 | — | — | |
| SCHEMBL29025797 | 0.74 | KDM4E (0.38) | ALDH1A1KDM4ENFKB1MAPTTHRB | |
| SCHEMBL15528876 | 0.74 | TRPV1 (0.35) | ALDH1A1KDM4ENFKB1MAPTTHRB | |
| SCHEMBL20211076 | 0.74 | PLA2G2C (0.50) | ALDH1A1CA2MAPK1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0934325-A4 | TETRAPHOSPHONATE BICYCLIC TRISANHYDRIDES | PHARMASSET LTD (US) | 2000-08-16 | — | — | EP | claimed |
| EP-0934325-A1 | TETRAPHOSPHONATE BICYCLIC TRISANHYDRIDES | Pharmasset, Ltd. (US) | 1999-08-11 | — | — | EP | claimed |
| WO-1998015563-A1 | TETRAPHOSPHONATE BICYCLIC TRISANHYDRIDES | PHARMASSET, LTD. (US) | 1998-04-16 | — | — | WO | claimed |
| EP-0934325-A4 | TETRAPHOSPHONATE BICYCLIC TRISANHYDRIDES | PHARMASSET LTD (US) | 2000-08-16 | — | — | EP | disclosed |
| EP-0934325-A1 | TETRAPHOSPHONATE BICYCLIC TRISANHYDRIDES | Pharmasset, Ltd. (US) | 1999-08-11 | — | — | EP | disclosed |
| WO-1998015563-A1 | TETRAPHOSPHONATE BICYCLIC TRISANHYDRIDES | PHARMASSET, LTD. (US) | 1998-04-16 | — | — | WO | disclosed |