Predicted protein targets (top 17)
| 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 | 10/20 | 0.36 |
| ▸ | ERAP2 | Q6P179 | 7/20 | 0.36 |
| ▸ | ERAP1 | Q9NZ08 | 5/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.35 |
| ▸ | CTSC | P53634 | 1/20 | 0.34 |
| ▸ | MMP3 | P08254 | 2/20 | 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 |
| ▸ | CPA4 | Q9UI42 | 1/20 | 0.33 |
| ▸ | MMP1 | P03956 | 1/20 | 0.33 |
| ▸ | MMP9 | P14780 | 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 | |
| SCHEMBL10084077 | 0.86 | HDAC1 (0.46) | — | |
| SCHEMBL10084076 | 0.86 | HDAC1 (0.46) | — | |
| SCHEMBL14036172 | 0.85 | CHRNB2 (0.37) | CHRNB2CHRNB4CHRNA3CHRNA4LNPEP | |
| Trifluoroacetic Acid SCHEMBL1246150 | 0.85 | MMP2 (0.40) | CHRNB2CHRNB4CHRNA3CHRNA4LNPEP | |
| SCHEMBL10084247 | 0.83 | HDAC1 (0.49) | MMP3 | |
| SCHEMBL10084125 | 0.83 | HDAC1 (0.40) | MMP2MMP3MMP8CALCRLMMP1 | |
| SCHEMBL10085075 | 0.82 | HDAC3 (0.47) | MMP1 | |
| SCHEMBL13289966 | 0.81 | NPC1 (0.37) | CHRNB2CHRNB4CHRNA3CHRNA4LNPEP | |
| SCHEMBL14035989 | 0.81 | HDAC1 (0.43) | MMP3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8268865-B2 | Quaternary alkyl ammonium bacterial efflux pump inhibitors and therapeutic uses thereof | REMPEX PHARMACEUTICALS, INC. (US) | 2012-09-18 | — | — | US | disclosed |
| US-20120165276-A1 | QUATERNARY ALKYL AMMONIUM BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF | MPEX PHARMACEUTICALS, INC. (US) | 2012-06-28 | — | — | US | disclosed |
| WO-2008141012-A2 | QUATERNARY ALKYL AMMONIUM BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF | MPEX PHARMACEUTICALS, INC. (US) | 2008-11-20 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20120165276-A1 | QUATERNARY ALKYL AMMONIUM BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF | ABCB11, ABCC1, SLC47A1 | CHRNB2 4783/4885CHRNB4 4788/4885CHRNA3 4832/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.