Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 4/20 | 0.43 |
| ▸ | LTA4H | P09960 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.38 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.37 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | F2 | P00734 | 1/20 | 0.36 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.36 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.36 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.36 |
| ▸ | ST14 | Q9Y5Y6 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.36 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL14853442 | 0.91 | LTA4H (0.48) | BCHELTA4HSMYD3CACNA1HCYP2D6 | |
| SCHEMBL14059 | 0.91 | LTA4H (0.48) | BCHELTA4HSMYD3CACNA1HCYP2D6 | |
| SCHEMBL14250 | 0.91 | LTA4H (0.43) | BCHELTA4HPOLBPKMTSHR | |
| SCHEMBL13781 | 0.91 | LTA4H (0.43) | BCHELTA4HPOLBPKMTSHR | |
| SCHEMBL14394 | 0.91 | LTA4H (0.43) | BCHELTA4HPOLBPKMTSHR | |
| SCHEMBL14853421 | 0.84 | BCHE (0.45) | BCHEPKMUSP30CACNA1HCYP2D6 | |
| SCHEMBL14853424 | 0.84 | BCHE (0.45) | BCHEPKMUSP30CACNA1HCYP2D6 | |
| SCHEMBL14850272 | 0.81 | CACNA1H (0.52) | BCHEUSP30CACNA1HCYP2D6KCNH2 | |
| SCHEMBL14850271 | 0.81 | CACNA1H (0.52) | BCHEUSP30CACNA1HCYP2D6KCNH2 | |
| SCHEMBL13766 | 0.80 | LTA4H (0.46) | BCHELTA4H |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011047323-A2 | ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME | RIB-X PHARMACEUTICALS, INC. (US) | 2011-04-21 | — | — | WO | disclosed |