Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | HHAT | Q5VTY9 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | GLA | P06280 | 2/20 | 0.38 |
| ▸ | CASP1 | P29466 | 2/20 | 0.38 |
| ▸ | CASP7 | P55210 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | TRPC3 | Q13507 | 1/20 | 0.35 |
| ▸ | TRPC6 | Q9Y210 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL13748721 | 0.95 | MEN1 (0.44) | KIF11MEN1KMT2AHHATKDM4E | |
| SCHEMBL13809014 | 0.91 | KIF11 (0.48) | KIF11HHATKDM4EALDH1A1HPGD | |
| SCHEMBL13809015 | 0.88 | KIF11 (0.45) | KIF11HHATKDM4EALDH1A1HPGD | |
| SCHEMBL13809243 | 0.81 | KIF11 (0.53) | KIF11MEN1KMT2AKDM4EALDH1A1 | |
| SCHEMBL13809005 | 0.70 | KIF11 (0.50) | KIF11KMT2AKDM4EALDH1A1HPGD | |
| SCHEMBL11718509 | 0.66 | KIF11 (0.59) | KIF11KDM4EALDH1A1HPGDGLA | |
| SCHEMBL13822114 | 0.62 | HCRTR1 (0.33) | KIF11MEN1KMT2AMAPT | |
| SCHEMBL10025892 | 0.62 | P2RX7 (0.39) | GRIN2C | |
| SCHEMBL13748143 | 0.62 | MAPT (0.75) | KDM4EALDH1A1GAATDP1MAPT | |
| SCHEMBL13748440 | 0.61 | MAPT (0.66) | KDM4EALDH1A1GAATDP1MAPT |
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-2009073545-A2 | TETRAHYDRO-ISOQUINOLINE PPAT INHIBITORS AS ANTIBACTERIAL AGENTS | MAXTHERA, INC. (US) | 2009-06-11 | — | — | WO | disclosed |