Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.37 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.37 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.37 |
| ▸ | LNPEP | Q9UIQ6 | 8/20 | 0.36 |
| ▸ | ERAP2 | Q6P179 | 5/20 | 0.36 |
| ▸ | ERAP1 | Q9NZ08 | 4/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.34 |
| ▸ | RELA | Q04206 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | CTSC | P53634 | 1/20 | 0.34 |
| ▸ | MMP3 | P08254 | 1/20 | 0.34 |
| ▸ | MMP8 | P22894 | 1/20 | 0.33 |
| ▸ | CALCRL | Q16602 | 1/20 | 0.33 |
| ▸ | CPA1 | P15085 | 1/20 | 0.33 |
| ▸ | CPA2 | P48052 | 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 | |
|---|---|---|---|---|
| SCHEMBL1246107 | 0.90 | LNPEP (0.42) | CHRNB2CHRNB4CHRNA3CHRNA4LNPEP | |
| SCHEMBL13289966 | 0.86 | NPC1 (0.37) | CHRNB2CHRNB4CHRNA3CHRNA4LNPEP | |
| SCHEMBL10084296 | 0.85 | CHRNB2 (0.37) | CHRNB2CHRNB4CHRNA3CHRNA4LNPEP | |
| Trifluoroacetic Acid SCHEMBL1246150 | 0.85 | MMP2 (0.40) | CHRNB2CHRNB4CHRNA3CHRNA4LNPEP | |
| SCHEMBL14036170 | 0.83 | HDAC1 (0.49) | NPC1RAB9ASMN1; SMN2MMP3 | |
| SCHEMBL14036176 | 0.79 | HDAC1 (0.44) | NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL4947979 | 0.79 | LNPEP (0.47) | LNPEPERAP2ERAP1NPC1NFKB1 | |
| SCHEMBL5018256 | 0.77 | HDAC1 (0.45) | NPC1NFKB1RAB9ANFKB2RELA | |
| SCHEMBL14036173 | 0.77 | HDAC1 (0.45) | NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL13992005 | 0.76 | HDAC1 (0.44) | NPC1RAB9ASMN1; SMN2 |
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-2008141012-A2 | QUATERNARY ALKYL AMMONIUM BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF | MPEX PHARMACEUTICALS, INC. (US) | 2008-11-20 | — | — | WO | disclosed |