Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA5A | P35218 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL25407 | 0.83 | — | — | |
| SCHEMBL28632541 | 0.80 | — | — | |
| SCHEMBL3108225 | 0.79 | ALDH1A1 (0.38) | ALDH1A1ALOX15MAPK1TDP1 | |
| SCHEMBL3102919 | 0.78 | CYP2A6 (0.32) | CYP2A6CA1CA2CA5ACA9 | |
| SCHEMBL3103454 | 0.77 | KCNN4 (0.37) | CA1CA2CA9MAPK1 | |
| SCHEMBL3103756 | 0.77 | TSHR (0.46) | CA1CA2CA5ACA9ALDH1A1 | |
| SCHEMBL2096471 | 0.75 | ALDH1A1 (0.55) | CYP2A6CA1CA2CA9ALDH1A1 | |
| SCHEMBL28224117 | 0.75 | CYP2A6 (0.50) | CYP2A6CA1CA2ALDH1A1ALOX15 | |
| Magnesium Chloride Anhydrous SCHEMBL28477516 | 0.72 | CYP2A6 (0.47) | CYP2A6CA1CA2ALDH1A1ALOX15 | |
| Zinc Chloride SCHEMBL27773254 | 0.72 | CYP2A6 (0.47) | CYP2A6CA1CA2ALDH1A1ALOX15 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2163553-B1 | ARENE CONNECTED POLYAMINE MACRORING DERIVATIVES, PREPARATION METHODS AND PHARMACEUTICAL USES THEREOF | BEIJING MOLECULE SCIENCE AND TECHNOLOGY CO LTD (CN) | 2013-12-25 | — | — | EP | 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 |
| 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 | CYP2A6 1583/4885CA1 4170/4885CA2 4341/4885 |
“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.