Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNN4 | O15554 | 3/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | KIF11 | P52732 | 3/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL3102919 | 0.85 | CYP2A6 (0.32) | — | |
| SCHEMBL3107531 | 0.84 | KCNN4 (0.38) | KCNN4 | |
| SCHEMBL3094555 | 0.84 | TSHR (0.37) | TSHRALDH1A1KIF11MAPK1CYP3A4 | |
| SCHEMBL3107014 | 0.81 | KIF11 (0.41) | TSHRALDH1A1KIF11MAPK1CYP3A4 | |
| SCHEMBL2223264 | 0.78 | TSHR (0.30) | TSHRMAPK1 | |
| SCHEMBL3108225 | 0.78 | ALDH1A1 (0.38) | KCNN4TSHRALDH1A1KIF11MAPK1 | |
| Bromotriphenylmethane SCHEMBL263 | 0.77 | ALDH1A1 (0.50) | KCNN4TSHRALDH1A1MAPK1CYP3A4 | |
| SCHEMBL3094569 | 0.75 | L3MBTL1 (0.41) | ATMALDH1A1MAPK1CYP3A4CYP2C19 | |
| Bromotriphenylmethane SCHEMBL2379015 | 0.74 | KCNN4 (0.47) | KCNN4TSHRALDH1A1MAPK1CYP3A4 | |
| Bromotriphenylmethane SCHEMBL113031 | 0.74 | KCNN4 (0.47) | KCNN4TSHRALDH1A1MAPK1CYP3A4 |
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 | KCNN4 3845/4885TSHR 3711/4885ATM 732/4885 |
“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.