Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 12/20 | 0.75 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.75 |
| ▸ | MEN1 | O00255 | 2/20 | 0.73 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.73 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.73 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.73 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.73 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.73 |
| ▸ | CCR2 | P41597 | 1/20 | 0.73 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.73 |
| ▸ | BLM | P54132 | 1/20 | 0.73 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.73 |
| ▸ | TSHR | P16473 | 2/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.62 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.62 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.62 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.62 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.59 |
| ▸ | MC4R | P32245 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL3779720 | 0.98 | CXCR4 (0.78) | CXCR4SIGMAR1MEN1KMT2AHRH3 | |
| SCHEMBL3994310 | 0.95 | CXCR4 (0.83) | CXCR4SIGMAR1MEN1KMT2AHRH3 | |
| SCHEMBL255099 | 0.94 | SIGMAR1 (0.85) | CXCR4SIGMAR1MEN1KMT2AHRH3 | |
| SCHEMBL10316935 | 0.94 | SIGMAR1 (0.85) | CXCR4SIGMAR1MEN1KMT2AHRH3 | |
| SCHEMBL3999326 | 0.94 | CXCR4 (0.79) | CXCR4SIGMAR1MEN1KMT2AHRH3 | |
| SCHEMBL30641657 | 0.93 | CXCR4 (0.81) | CXCR4SIGMAR1MEN1KMT2AHRH3 | |
| SCHEMBL31616422 | 0.93 | SIGMAR1 (0.82) | CXCR4SIGMAR1MEN1KMT2AHRH3 | |
| Hydrochloric Acid SCHEMBL7422770 | 0.93 | SIGMAR1 (0.82) | CXCR4SIGMAR1MEN1KMT2AHRH3 | |
| SCHEMBL9168824 | 0.93 | CXCR4 (0.76) | CXCR4SIGMAR1MEN1KMT2AHRH3 | |
| Pyrrolidine SCHEMBL15516038 | 0.91 | SIGMAR1 (0.72) | CXCR4SIGMAR1MEN1KMT2AHRH3 |
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-9233971-B2 | Lipomacrocycles and uses thereof | AGAVE PHARMA, INCORPORATED | 2016-01-12 | — | — | US | disclosed |
| US-20130156851-A1 | LIPOMACROCYCLES AND USES THEREOF | AGAVE PHARMA, INCORPORATED | 2013-06-20 | — | — | US | 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-20130156851-A1 | LIPOMACROCYCLES AND USES THEREOF | LIPC, LIPA, LIPE | CXCR4 373/4885SIGMAR1 3061/4885MEN1 1689/4885 |
“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.