Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPBWR1 | P48145 | 1/20 | 0.41 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | TGM2 | P21980 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | GPR6 | P46095 | 1/20 | 0.36 |
| ▸ | TOP2A | P11388 | 1/20 | 0.35 |
| ▸ | CTSL | P07711 | 1/20 | 0.35 |
| ▸ | CTSB | P07858 | 1/20 | 0.35 |
| ▸ | CTSS | P25774 | 1/20 | 0.35 |
| ▸ | CTSK | P43235 | 1/20 | 0.35 |
| ▸ | PDE4B | Q07343 | 4/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | PDE4A | P27815 | 2/20 | 0.35 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7730647 | 1.00 | NPBWR1 (0.41) | NPBWR1MCHR1CYP1A2POLBCYP3A4 | |
| SCHEMBL7730651 | 1.00 | NPBWR1 (0.41) | NPBWR1MCHR1CYP1A2POLBCYP3A4 | |
| SCHEMBL7722091 | 0.86 | STS (0.37) | NPBWR1MCHR1TGM2CTSLCTSB | |
| SCHEMBL7722100 | 0.86 | STS (0.37) | NPBWR1MCHR1TGM2CTSLCTSB | |
| SCHEMBL7722247 | 0.86 | STS (0.37) | NPBWR1MCHR1TGM2CTSLCTSB | |
| SCHEMBL7722098 | 0.86 | STS (0.37) | NPBWR1MCHR1TGM2CTSLCTSB | |
| SCHEMBL7722007 | 0.80 | TGM2 (0.42) | LMNATGM2MEN1KMT2A | |
| SCHEMBL7722009 | 0.80 | TGM2 (0.42) | LMNATGM2MEN1KMT2A | |
| SCHEMBL7722003 | 0.80 | TGM2 (0.42) | LMNATGM2MEN1KMT2A | |
| SCHEMBL7730983 | 0.79 | MCL1 (0.45) | — |
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 |