Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 1/20 | 0.56 |
| ▸ | CTSK | P43235 | 2/20 | 0.49 |
| ▸ | HSD11B1 | P28845 | 8/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | KDM1A | O60341 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.41 |
| ▸ | CKS1B | P61024 | 1/20 | 0.40 |
| ▸ | SKP1 | P63208 | 1/20 | 0.40 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7728383 | 1.00 | BTK (0.56) | BTKCTSKHSD11B1CYP2C9HSD17B10 | |
| SCHEMBL7726769 | 0.88 | CTSK (0.48) | BTKCTSKHSD11B1CYP2C9HSD17B10 | |
| SCHEMBL7729577 | 0.88 | CTSK (0.48) | BTKCTSKHSD11B1CYP2C9HSD17B10 | |
| SCHEMBL7736016 | 0.87 | BTK (0.54) | BTKCTSKHSD11B1CYP2C9HSD17B10 | |
| SCHEMBL7729066 | 0.87 | BTK (0.54) | BTKCTSKHSD11B1CYP2C9HSD17B10 | |
| SCHEMBL25235410 | 0.87 | BTK (0.54) | BTKCTSKHSD11B1CYP2C9HSD17B10 | |
| SCHEMBL15297652 | 0.87 | BTK (0.54) | BTKCTSKHSD11B1CYP2C9HSD17B10 | |
| SCHEMBL7728661 | 0.87 | BTK (0.54) | BTKCTSKHSD11B1CYP2C9HSD17B10 | |
| SCHEMBL7722234 | 0.87 | BTK (0.54) | BTKCTSKHSD11B1CYP2C9HSD17B10 | |
| SCHEMBL21864768 | 0.82 | ALDH1A1 (0.52) | CTSKHSD11B1EPHX1CA1CA2 |
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 |