Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 2/20 | 0.48 |
| ▸ | BTK | Q06187 | 1/20 | 0.48 |
| ▸ | HSD11B1 | P28845 | 9/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.40 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | SCN4A | P35499 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7726769 | 1.00 | CTSK (0.48) | CTSKBTKHSD11B1CYP2C9EPHX1 | |
| SCHEMBL7727313 | 0.88 | BTK (0.46) | CTSKBTKHSD11B1CYP2C9CA1 | |
| SCHEMBL7731684 | 0.88 | BTK (0.46) | CTSKBTKHSD11B1CYP2C9CA1 | |
| SCHEMBL7727315 | 0.88 | BTK (0.46) | CTSKBTKHSD11B1CYP2C9CA1 | |
| SCHEMBL7728646 | 0.88 | BTK (0.56) | CTSKBTKHSD11B1CYP2C9EPHX1 | |
| SCHEMBL7728383 | 0.88 | BTK (0.56) | CTSKBTKHSD11B1CYP2C9EPHX1 | |
| SCHEMBL443655 | 0.82 | HSD17B10 (0.47) | EPHX1NR1H2NR1H3HSD17B10SCN4A | |
| SCHEMBL26353928 | 0.82 | HSD17B10 (0.47) | EPHX1NR1H2NR1H3HSD17B10SCN4A | |
| SCHEMBL2995875 | 0.82 | HSD17B10 (0.47) | EPHX1NR1H2NR1H3HSD17B10SCN4A | |
| SCHEMBL1975610 | 0.82 | CHRM2 (0.45) | NR1H2NR1H3HSD17B10KMT2AALDH1A1 |
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 |