Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 1/20 | 0.54 |
| ▸ | CTSK | P43235 | 2/20 | 0.44 |
| ▸ | HSD11B1 | P28845 | 5/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | MMP2 | P08253 | 1/20 | 0.39 |
| ▸ | ANPEP | P15144 | 1/20 | 0.39 |
| ▸ | KDM1A | O60341 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL25235410 | 1.00 | BTK (0.54) | BTKCTSKHSD11B1CYP2C9CA1 | |
| SCHEMBL7728661 | 1.00 | BTK (0.54) | BTKCTSKHSD11B1CYP2C9CA1 | |
| SCHEMBL15297652 | 1.00 | BTK (0.54) | BTKCTSKHSD11B1CYP2C9CA1 | |
| SCHEMBL7729066 | 1.00 | BTK (0.54) | BTKCTSKHSD11B1CYP2C9CA1 | |
| SCHEMBL7722234 | 1.00 | BTK (0.54) | BTKCTSKHSD11B1CYP2C9CA1 | |
| SCHEMBL28905732 | 0.90 | BTK (0.55) | BTKCTSKHSD11B1CYP2C9CA1 | |
| SCHEMBL10594861 | 0.90 | BTK (0.41) | BTKCTSKMMP2ANPEPHSD17B10 | |
| SCHEMBL10594866 | 0.90 | BTK (0.41) | BTKCTSKMMP2ANPEPHSD17B10 | |
| SCHEMBL21273886 | 0.90 | BTK (0.55) | BTKCTSKHSD11B1CYP2C9CA1 | |
| SCHEMBL26097572 | 0.90 | BTK (0.55) | BTKCTSKHSD11B1CYP2C9CA1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |