Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 11/20 | 0.51 |
| ▸ | CNR1 | P21554 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HPN | P05981 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.38 |
| ▸ | DRD1 | P21728 | 1/20 | 0.38 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | HRH2 | P25021 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL13250549 | 0.91 | CXCR4 (0.62) | CXCR4CHRM2CHRM1ADRA2CALDH1A1 | |
| SCHEMBL13250531 | 0.91 | CXCR4 (0.55) | CXCR4CHRM2CHRM1ADRA2CSMN1; SMN2 | |
| SCHEMBL13250533 | 0.89 | CXCR4 (0.51) | CXCR4CHRM2CHRM1ADRA2CSMN1; SMN2 | |
| SCHEMBL13250536 | 0.89 | CXCR4 (0.51) | CXCR4CNR1DRD2DRD4DRD3 | |
| SCHEMBL13250522 | 0.87 | CXCR4 (0.46) | CXCR4CNR1CYP3A4USP2CYP1A2 | |
| SCHEMBL13250537 | 0.86 | CXCR4 (0.60) | CXCR4CNR1CHRM2CHRM1ADRA2C | |
| SCHEMBL13250487 | 0.84 | CXCR4 (0.64) | CXCR4CNR1CYP3A4USP2CYP1A2 | |
| SCHEMBL13250548 | 0.84 | CXCR4 (0.65) | CXCR4CHRM2CHRM1ADRA2CMEN1 | |
| SCHEMBL13250551 | 0.84 | CXCR4 (0.63) | CXCR4CHRM2CHRM1ADRA2CMEN1 | |
| SCHEMBL13250538 | 0.81 | CXCR4 (0.49) | CXCR4SLC6A2SLC6A4SLC6A3ALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8420626-B2 | Arene connected polyamine macrocyclic derivatives, preparation methods and pharmaceutical uses thereof | BEIJING MOLECULE SCIENCE AND TECHNOLOGY CO., LTD. (CN) | 2013-04-16 | — | — | US | disclosed |
| US-8420626-B2 | Arene connected polyamine macrocyclic derivatives, preparation methods and pharmaceutical uses thereof | BEIJING MOLECULE SCIENCE AND TECHNOLOGY CO., LTD. (CN) | 2013-04-16 | — | — | US | disclosed |
| US-20100179116-A1 | Arene Connected Polyamine Macrocyclic Derivatives, Preparation Methods and Pharmaceutical Uses Thereof | BEIJING MOLECULE SCIENCE AND TECHNOLOGY CO., LTD. (CN) | 2010-07-15 | — | — | US | disclosed |
| US-20100179116-A1 | Arene Connected Polyamine Macrocyclic Derivatives, Preparation Methods and Pharmaceutical Uses Thereof | BEIJING MOLECULE SCIENCE AND TECHNOLOGY CO., LTD. (CN) | 2010-07-15 | — | — | US | disclosed |
| EP-2163553-A1 | ARENE CONNECTED POLYAMINE MACRORING DERIVATIVES, PREPARATION METHODS AND PHARMACEUTICAL USES THEREOF | Beijing Molecule Science and Technology Co., Ltd. (CN) | 2010-03-17 | — | — | EP | 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-20100179116-A1 | Arene Connected Polyamine Macrocyclic Derivatives, Preparation Methods and Pharmaceutical Uses Thereof | SRM, SP1, SMS | CXCR4 555/4885CNR1 1273/4885CYP3A4 1015/4885 |
“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.