Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.44 |
| ▸ | CHKA | P35790 | 1/20 | 0.43 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.42 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.42 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.42 |
| ▸ | CHRNA6 | Q15825 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.36 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL756289 | 0.79 | SMN1; SMN2 (0.50) | POLBKMT2AHSD11B1 | |
| SCHEMBL10723702 | 0.78 | CA2 (0.45) | CA2CA12CA1CA9POLB | |
| SCHEMBL5257 | 0.77 | POLB (0.68) | CA2CA12CA1CA9POLB | |
| SCHEMBL2968082 | 0.77 | SMN1; SMN2 (0.53) | POLBKMT2AHSD11B1 | |
| Hydrochloric Acid SCHEMBL659692 | 0.76 | POLB (0.65) | CA2CA12CA1CA9POLB | |
| SCHEMBL2213253 | 0.75 | POLB (0.42) | CA2CA12CA1CA9POLB | |
| SCHEMBL918917 | 0.75 | CA2 (0.50) | CA2CA12CA1CA9POLB | |
| SCHEMBL3224580 | 0.74 | POLB (0.39) | POLBKMT2A | |
| SCHEMBL962662 | 0.74 | KMT2A (0.75) | CA2CA12CA1CA9POLB | |
| SCHEMBL5433 | 0.74 | — | — |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117794923-A | Benzodioxane compound, and preparation method and application thereof | 南京红云生物科技有限公司 | 2024-03-29 | — | — | CN | claimed |
| CN-115916759-A | Substituted quinazoline compound, preparation method, pharmaceutical composition and application thereof | 南京红云生物科技有限公司 | 2023-04-04 | — | — | CN | claimed |
| CN-115697996-A | Alkenyl pyrimidine compound, preparation method and application thereof | 南京红云生物科技有限公司 | 2023-02-03 | — | — | CN | claimed |
| CN-114728009-A | Preventing or treating diseases and disorders associated with tissue damage | 李晓祥 | 2022-07-08 | — | — | CN | claimed |
| CN-113717156-A | EGFR inhibitor, preparation method and application thereof | 南京红云生物科技有限公司 | 2021-11-30 | — | — | CN | claimed |
| CN-117794923-A | Benzodioxane compound, and preparation method and application thereof | 南京红云生物科技有限公司 | 2024-03-29 | — | — | CN | disclosed |
| CN-113717156-B | EGFR inhibitor, preparation method and application thereof | 南京红云生物科技有限公司 | 2023-05-09 | — | — | CN | disclosed |
| CN-115916759-A | Substituted quinazoline compound, preparation method, pharmaceutical composition and application thereof | 南京红云生物科技有限公司 | 2023-04-04 | — | — | CN | disclosed |
| CN-115697996-A | Alkenyl pyrimidine compound, preparation method and application thereof | 南京红云生物科技有限公司 | 2023-02-03 | — | — | CN | disclosed |
| CN-114728009-A | Preventing or treating diseases and disorders associated with tissue damage | 李晓祥 | 2022-07-08 | — | — | CN | disclosed |
| CN-107698603-B | Thienopyrimidine compound, preparation method thereof, medicinal composition and application thereof | 南京红云生物科技有限公司 | 2022-04-08 | — | — | CN | disclosed |
| CN-113717156-A | EGFR inhibitor, preparation method and application thereof | 南京红云生物科技有限公司 | 2021-11-30 | — | — | CN | disclosed |
| CN-107151250-B | Pyrimidine seven-membered ring compound, preparation method thereof, medicinal composition and application thereof | 安徽省新星药物开发有限责任公司 | 2020-03-27 | — | — | CN | disclosed |
| EP-1313733-A1 | PYRAZOLOPYRIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2003-05-28 | — | — | EP | disclosed |
| WO-2002018382-A1 | PYRAZOLOPYRIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2002-03-07 | — | — | WO | disclosed |
| US-6251861-B1 | CYCLO(D-ASP-ASP(R1)-ASP-D-THG(2)-LEU-TRP) DISODIUM SALT, WHERE ASP(R1) IS AN ASPARTIC ACID BETA-4-PHENYLPIPERAZINE AMIDE RESIDUE AND THG(2) IS 2-(2-THIENYL)GLYCINE; ANTI-ENDOTHELIN ACTIVITY | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2001-06-26 | — | — | US | disclosed |