Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | TGM2 | P21980 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7721956 | 0.92 | NR1H2 (0.37) | NR1H2SMN1; SMN2TGM2CYP1A2POLB | |
| SCHEMBL7722084 | 0.89 | NR1H2 (0.39) | NR1H2SMN1; SMN2TGM2CYP1A2POLB | |
| SCHEMBL7721995 | 0.89 | NR1H2 (0.39) | NR1H2SMN1; SMN2TGM2CYP1A2POLB | |
| SCHEMBL7729001 | 0.82 | NR1H2 (0.44) | NR1H2 | |
| SCHEMBL8144741 | 0.75 | CYP1A2 (0.33) | TGM2CYP1A2POLBCYP3A4CYP2C19 | |
| SCHEMBL7722275 | 0.75 | HDAC8 (0.42) | SMN1; SMN2CYP1A2POLBCYP3A4CYP2C19 | |
| SCHEMBL1914387 | 0.72 | NR1H2 (0.54) | NR1H2SMN1; SMN2TGM2CYP1A2POLB | |
| SCHEMBL3173701 | 0.72 | NR1H2 (0.54) | NR1H2SMN1; SMN2TGM2CYP1A2POLB | |
| SCHEMBL19888889 | 0.72 | NR1H2 (0.54) | NR1H2SMN1; SMN2TGM2CYP1A2POLB | |
| SCHEMBL3191025 | 0.72 | NR1H2 (0.54) | NR1H2SMN1; SMN2TGM2CYP1A2POLB |
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 |