Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | DHODH | Q02127 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | STAT3 | P40763 | 4/20 | 0.35 |
| ▸ | STAT1 | P42224 | 1/20 | 0.35 |
| ▸ | STAT5B | P51692 | 1/20 | 0.35 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.34 |
| ▸ | S1PR5 | Q9H228 | 2/20 | 0.34 |
| ▸ | RAF1 | P04049 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7569645 | 0.96 | DHODH (0.38) | NPC1RAB9ADHODHKMT2AHSP90AA1 | |
| SCHEMBL7572646 | 0.85 | BDKRB2 (0.41) | GAACYP26A1HDAC3HDAC6CES2 | |
| SCHEMBL7572458 | 0.82 | BDKRB2 (0.42) | HDAC3HDAC6CES2 | |
| SCHEMBL7572631 | 0.82 | CES2 (0.42) | GAAALDH1A1CYP26A1HDAC3HDAC6 | |
| SCHEMBL7572718 | 0.82 | CES2 (0.43) | KMT2AMAPTMEN1HDAC3HDAC6 | |
| SCHEMBL7570328 | 0.79 | CES2 (0.45) | HDAC3HDAC6CES2 | |
| SCHEMBL7571381 | 0.79 | HDAC3 (0.42) | CYP26A1HDAC3HDAC6MMP2 | |
| SCHEMBL7575515 | 0.77 | ESR1 (0.37) | NPC1RAB9AKMT2AMAPTMEN1 | |
| SCHEMBL7577759 | 0.77 | MAPT (0.40) | MAPTTDP1ALDH1A1 | |
| SCHEMBL7571208 | 0.77 | NPC1 (0.44) | NPC1RAB9AGAAMAPTALDH1A1 |
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 |