Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 2/20 | 0.36 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | MMP2 | P08253 | 2/20 | 0.35 |
| ▸ | ANPEP | P15144 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.34 |
| ▸ | UCHL1 | P09936 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HTRA1 | Q92743 | 1/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.31 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.30 |
| ▸ | CDK9 | P50750 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7728664 | 0.88 | HSD17B10 (0.36) | NR1H2CYP1A2POLBCYP3A4CYP2C19 | |
| SCHEMBL7722114 | 0.82 | MMP2 (0.30) | MMP2ANPEP | |
| SCHEMBL34474691 | 0.82 | MMP2 (0.40) | NR1H2NR1H3PTPN1MMP2ANPEP | |
| SCHEMBL34474739 | 0.82 | MMP2 (0.40) | NR1H2NR1H3PTPN1MMP2ANPEP | |
| SCHEMBL14915786 | 0.82 | MMP2 (0.40) | NR1H2NR1H3PTPN1MMP2ANPEP | |
| SCHEMBL34474260 | 0.82 | MMP2 (0.40) | NR1H2NR1H3PTPN1MMP2ANPEP | |
| SCHEMBL21285787 | 0.79 | HSD11B1 (0.42) | NR1H2NR1H3PTPN1MMP2ANPEP | |
| SCHEMBL7721956 | 0.78 | NR1H2 (0.37) | NR1H2NR1H3PTPN1MMP2ANPEP | |
| SCHEMBL18084464 | 0.76 | NR1H2 (0.43) | NR1H2NR1H3PTPN1MMP2ANPEP | |
| SCHEMBL3786077 | 0.75 | NR1H2 (0.48) | NR1H2NR1H3PTPN1MMP2ANPEP |
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 |