Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | CTSK | P43235 | 2/20 | 0.39 |
| ▸ | KDM1A | O60341 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 5/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.34 |
| ▸ | ARG1 | P05089 | 1/20 | 0.34 |
| ▸ | ARG2 | P78540 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.33 |
| ▸ | RELA | Q04206 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8149726 | 1.00 | BTK (0.44) | BTKGAACTSKKDM1AMAOB | |
| SCHEMBL8150637 | 0.90 | BTK (0.41) | BTKGAACTSKKDM1AMAOB | |
| SCHEMBL8143603 | 0.90 | BTK (0.41) | BTKGAACTSKKDM1AMAOB | |
| SCHEMBL31211275 | 0.79 | BTK (0.46) | BTKGAACTSKKDM1AMAOB | |
| SCHEMBL221457 | 0.79 | — | — | |
| SCHEMBL21035310 | 0.78 | BTK (0.44) | BTKGAACTSKKDM1AMAOB | |
| SCHEMBL31599674 | 0.78 | BTK (0.44) | BTKGAACTSKKDM1AMAOB | |
| SCHEMBL8149873 | 0.77 | EPHX1 (0.41) | BTKKDM1AMAOBEPHX2KMT2A | |
| SCHEMBL26621674 | 0.76 | BTK (0.46) | BTKGAACTSKKDM1AMAOB | |
| SCHEMBL7488055 | 0.73 | CYP4F2 (0.30) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6399629-B1 | PYRROLIDINES AND PIPERIDINES FOR TREATING MICROBIAL INFECTIONS BY REDUCING EXPORT OF COADMINISTERED ANTIMICROBIAL AGENT OR COMPOUND SYNTHESIZED BY MICROBES FOR THEIR GROWTH; REDUCING IN VIVO AVAILABILITY | MICROCIDE PHARMACEUTICALS, INC. | 2002-06-04 | — | — | US | disclosed |
| WO-2000001714-A1 | EFFLUX PUMP INHIBITORS | MICROCIDE PHARMACEUTICALS, INC. (US) | 2000-01-13 | — | — | WO | disclosed |