Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | KLKB1 | P03952 | 3/20 | 0.42 |
| ▸ | MAP4K1 | Q92918 | 3/20 | 0.42 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.40 |
| ▸ | LTA4H | P09960 | 1/20 | 0.40 |
| ▸ | IDH1 | O75874 | 1/20 | 0.40 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.39 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL8136028 | 0.88 | KLKB1 (0.42) | KLKB1MAP4K1 | |
| SCHEMBL22926854 | 0.87 | PDE10A (0.49) | KDM4EMAPTGAAPKMTDP1 | |
| SCHEMBL20524060 | 0.78 | EGFR (0.41) | KDM4EMAPTGAAKLKB1MAP4K1 | |
| SCHEMBL7727062 | 0.78 | SMN1; SMN2 (0.48) | KDM4EMAPTGAAKLKB1MAP4K1 | |
| SCHEMBL7728250 | 0.77 | MGAM (0.62) | IDH1 | |
| SCHEMBL27824234 | 0.75 | MET (0.53) | KDM4EMAPTALDH1A1TP53HSP90AA1 | |
| SCHEMBL30503636 | 0.74 | EGFR (0.61) | KDM4EMAPTGAATDP1TLR9 | |
| SCHEMBL11162210 | 0.74 | EGFR (0.61) | KDM4EMAPTGAATDP1TLR9 | |
| SCHEMBL23330368 | 0.74 | KDM4E (0.40) | KDM4EMAPTGAAKLKB1MAP4K1 | |
| SCHEMBL5799847 | 0.74 | NOS1 (0.41) | KDM4EMAPTKLKB1MAP4K1ALDH1A1 |
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 2 patents. 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 |
| WO-2000001714-A1 | EFFLUX PUMP INHIBITORS | MICROCIDE PHARMACEUTICALS, INC. (US) | 2000-01-13 | — | — | WO | disclosed |