Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 5/20 | 0.40 |
| ▸ | KIF11 | P52732 | 3/20 | 0.40 |
| ▸ | SLC13A5 | Q86YT5 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | FAAH | O00519 | 1/20 | 0.38 |
| ▸ | MGLL | Q99685 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | PRKDC | P78527 | 2/20 | 0.37 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL7578013 | 0.96 | KIF11 (0.43) | MAPTKIF11SLC13A5TSHRPKM | |
| SCHEMBL7572646 | 0.83 | BDKRB2 (0.41) | TSHRLMNA | |
| SCHEMBL7572458 | 0.80 | BDKRB2 (0.42) | — | |
| SCHEMBL7572718 | 0.80 | CES2 (0.43) | MAPTLMNA | |
| SCHEMBL7572631 | 0.80 | CES2 (0.42) | SMN1; SMN2ALDH1A1 | |
| SCHEMBL7570328 | 0.77 | CES2 (0.45) | KIF11SLC13A5LMNA | |
| SCHEMBL7571381 | 0.77 | HDAC3 (0.42) | MGLL | |
| SCHEMBL7575515 | 0.76 | ESR1 (0.37) | MAPTLMNASMN1; SMN2ALDH1A1 | |
| SCHEMBL7576544 | 0.75 | CES2 (0.44) | MAPTLMNAKDM4EALDH1A1 | |
| SCHEMBL7571208 | 0.75 | NPC1 (0.44) | MAPTSMN1; SMN2ALDH1A1 |
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 |