Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC18A3 | Q16572 | 7/20 | 0.63 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.58 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.53 |
| ▸ | KMO | O15229 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | APEX1 | P27695 | 1/20 | 0.50 |
| ▸ | BLM | P54132 | 1/20 | 0.50 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Cyclohexane SCHEMBL11811100 | 1.00 | SLC18A3 (0.63) | SLC18A3SIGMAR1CYP11B2CYP2D6KMO | |
| SCHEMBL30731352 | 1.00 | SLC18A3 (0.63) | SLC18A3SIGMAR1CYP11B2CYP2D6KMO | |
| SCHEMBL190370 | 1.00 | SLC18A3 (0.63) | SLC18A3SIGMAR1CYP11B2CYP2D6KMO | |
| Benzene SCHEMBL11808437 | 1.00 | SLC18A3 (0.63) | SLC18A3SIGMAR1CYP11B2CYP2D6KMO | |
| SCHEMBL447032 | 1.00 | SLC18A3 (0.63) | SLC18A3SIGMAR1CYP11B2CYP2D6KMO | |
| SCHEMBL11562787 | 1.00 | SLC18A3 (0.63) | SLC18A3SIGMAR1CYP11B2CYP2D6KMO | |
| SCHEMBL790829 | 1.00 | SLC18A3 (0.63) | SLC18A3SIGMAR1CYP11B2CYP2D6KMO | |
| SCHEMBL42833 | 1.00 | SLC18A3 (0.63) | SLC18A3SIGMAR1CYP11B2CYP2D6KMO | |
| SCHEMBL19262690 | 1.00 | SLC18A3 (0.63) | SLC18A3SIGMAR1CYP11B2CYP2D6KMO | |
| Hydrogen Peroxide SCHEMBL11586135 | 0.97 | SLC18A3 (0.61) | SLC18A3SIGMAR1CYP11B2CYP2D6KMO |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118184669-A | Macrocyclic compounds as multi-target kinase inhibitors | 北京伯汇生物技术有限公司 | 2024-06-14 | — | — | CN | disclosed |
| CN-112812128-B | Macrocyclic compounds as ALK and ROS modulators | 正大天晴药业集团股份有限公司 | 2024-04-02 | — | — | CN | disclosed |
| CN-116406272-A | DNA-PK selective inhibitor and preparation method and application thereof | 首药控股(北京)股份有限公司 | 2023-07-07 | — | — | CN | disclosed |
| CN-110950890-B | Substituted imidazo [4,5-c ] quinoline macrocycles as multi-target kinase inhibitors | 北京赛林泰医药技术有限公司 | 2022-07-01 | — | — | CN | disclosed |
| CN-110950890-A | Substituted imidazo [4,5-c ] quinoline macrocycles as multi-target kinase inhibitors | 北京赛林泰医药技术有限公司 | 2020-04-03 | — | — | CN | disclosed |
| US-20170217986-A1 | HIV PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2017-08-03 | — | — | 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-20170217986-A1 | HIV PROTEASE INHIBITORS | CTSV, PRSS1, PREP | SLC18A3 2156/4885SIGMAR1 1289/4885CYP11B2 2634/4885 |
“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.