Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | PIK3C3 | Q8NEB9 | 5/20 | 0.39 |
| ▸ | ATM | Q13315 | 5/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7577759 | 0.96 | MAPT (0.40) | KIF11MAPTLMNASMN1; SMN2L3MBTL1 | |
| SCHEMBL7572646 | 0.82 | BDKRB2 (0.41) | LMNATSHRGAA | |
| SCHEMBL7572458 | 0.82 | BDKRB2 (0.42) | — | |
| SCHEMBL7571381 | 0.81 | HDAC3 (0.42) | — | |
| SCHEMBL7576544 | 0.79 | CES2 (0.44) | MAPTLMNAKDM4EALDH1A1 | |
| SCHEMBL7571711 | 0.79 | CES2 (0.38) | LMNA | |
| SCHEMBL7571208 | 0.79 | NPC1 (0.44) | MAPTSMN1; SMN2ALDH1A1POLBGAA | |
| SCHEMBL7569645 | 0.76 | DHODH (0.38) | MAPTHSP90AA1GAATDP1 | |
| SCHEMBL7572631 | 0.75 | CES2 (0.42) | SMN1; SMN2ALDH1A1GAA | |
| SCHEMBL7572718 | 0.75 | CES2 (0.43) | MAPTLMNA |
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-2002085369-A1 | INHIBITORS OF ANTHRAX LETHAL FACTOR ACTIVITY | STRUCTURAL BIOINFORMATICS, INC. (US) | 2002-10-31 | — | — | WO | disclosed |