Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP2 | P08253 | 11/20 | 0.40 |
| ▸ | ANPEP | P15144 | 6/20 | 0.38 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.35 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7726770 | 1.00 | MMP2 (0.40) | MMP2ANPEPNR1H2NR1H3ALDH1A1 | |
| SCHEMBL7733245 | 0.90 | MMP2 (0.38) | MMP2ANPEPNR1H2NR1H3ALDH1A1 | |
| SCHEMBL7733241 | 0.90 | MMP2 (0.38) | MMP2ANPEPNR1H2NR1H3ALDH1A1 | |
| SCHEMBL7727155 | 0.89 | AGTR2 (0.38) | MMP2ANPEPNR1H2EPHX1CYP1A2 | |
| SCHEMBL7727152 | 0.89 | AGTR2 (0.38) | MMP2ANPEPNR1H2EPHX1CYP1A2 | |
| SCHEMBL31524187 | 0.85 | FASN (0.39) | MMP2ANPEPNR1H2NR1H3 | |
| SCHEMBL7733819 | 0.82 | MMP2 (0.39) | MMP2ANPEPNR1H2NR1H3ALDH1A1 | |
| SCHEMBL7733815 | 0.82 | MMP2 (0.39) | MMP2ANPEPNR1H2NR1H3ALDH1A1 | |
| Hydrochloric Acid SCHEMBL31000750 | 0.82 | MMP2 (0.40) | MMP2ANPEPNR1H2NR1H3ALDH1A1 | |
| SCHEMBL7726398 | 0.82 | MMP2 (0.39) | MMP2ANPEPNR1H2NR1H3ALDH1A1 |
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 |