Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.41 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.40 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.38 |
| ▸ | DHODH | Q02127 | 9/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL30738378 | 1.00 | NPC1 (0.42) | NPC1RAB9ASMN1; SMN2KDM4EADORA1 | |
| SCHEMBL23965732 | 0.90 | PTGS2 (0.38) | ADORA1PTGS2PTGS1DHODHCYP1A2 | |
| SCHEMBL29947049 | 0.84 | MAP4K4 (0.46) | KDM4EADORA1PTGS2DHODHUSP2 | |
| SCHEMBL21621285 | 0.84 | MAP4K4 (0.46) | KDM4EADORA1PTGS2DHODHUSP2 | |
| SCHEMBL22179704 | 0.84 | ADORA1 (0.39) | ADORA1PTGS2PDE10ADHODHUSP2 | |
| SCHEMBL22179960 | 0.83 | ABL1 (0.42) | ADORA1PTGS2DHODHUSP2LMNA | |
| SCHEMBL30738303 | 0.83 | ABL1 (0.42) | ADORA1PTGS2DHODHUSP2LMNA | |
| SCHEMBL22180299 | 0.82 | MAP4K4 (0.40) | ADORA1DHODHUSP2LMNACYP1A2 | |
| SCHEMBL30738301 | 0.82 | MAP4K4 (0.40) | ADORA1DHODHUSP2LMNACYP1A2 | |
| SCHEMBL21621299 | 0.82 | ADORA1 (0.46) | ADORA1PTGS2USP2LMNACYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-113166119-B | Substituted aryl compound and preparation method and application thereof | 四川科伦博泰生物医药股份有限公司 | 2024-01-05 | — | — | CN | disclosed |
| US-20210395226-A1 | SUBSTITUTED ARYL COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF | SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) | 2021-12-23 | — | — | US | disclosed |
| EP-3904352-A1 | SUBSTITUTED ARYL COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF | Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) | 2021-11-03 | — | — | EP | disclosed |
| CN-113166119-A | Substituted aryl compound and preparation method and application thereof | 四川科伦博泰生物医药股份有限公司 | 2021-07-23 | — | — | CN | disclosed |
| WO-2020135210-A1 | SUBSTITUTED ARYL COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF | 四川科伦博泰生物医药股份有限公司 | 2020-07-02 | — | — | WO | 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-20210395226-A1 | SUBSTITUTED ARYL COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF | ADORA2A, ADORA1, ADORA3 | NPC1 517/4885RAB9A 1971/4885SMN1; SMN2 3788/4885 |
“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.