Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.39 |
| ▸ | HTR2A | P28223 | 2/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 3/20 | 0.38 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 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 | |
|---|---|---|---|---|
| SCHEMBL7536 | 0.84 | — | — | |
| Bromide SCHEMBL29227177 | 0.82 | ALDH1A1 (0.50) | ALDH1A1TRPA1TSHRTAAR1HTR2A | |
| Fluoride SCHEMBL29026731 | 0.82 | ALDH1A1 (0.50) | ALDH1A1TRPA1TSHRTAAR1HTR2A | |
| SCHEMBL5389732 | 0.82 | ALDH1A1 (0.50) | ALDH1A1TRPA1TSHRTAAR1HTR2A | |
| SCHEMBL1989430 | 0.82 | CYP2A6 (0.57) | ALDH1A1TSHRHTR2ACYP2A6CES2 | |
| SCHEMBL3108222 | 0.81 | TSHR (0.59) | ALDH1A1TRPA1TSHRTAAR1HTR2A | |
| SCHEMBL3102914 | 0.80 | HTR2A (0.40) | ALDH1A1TRPA1TSHRTAAR1HTR2A | |
| SCHEMBL3103749 | 0.79 | IDO1 (0.41) | ALDH1A1TRPA1TSHRTAAR1CYP2A6 | |
| SCHEMBL3103451 | 0.79 | IDO1 (0.41) | ALDH1A1TRPA1TSHRTAAR1IDO1 | |
| SCHEMBL3105616 | 0.79 | SLC6A2 (0.37) | ALDH1A1TRPA1TSHRTAAR1HTR2A |
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 | ALDH1A1 1826/4885TRPA1 2346/4885TSHR 3711/4885 |
“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.