Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | CTSK | P43235 | 3/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | GBA1 | P04062 | 1/20 | 0.32 |
| ▸ | METAP2 | P50579 | 1/20 | 0.32 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.31 |
| ▸ | FPR3 | P25089 | 1/20 | 0.31 |
| ▸ | FPR2 | P25090 | 1/20 | 0.31 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.30 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.30 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.30 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA7 | P43166 | 1/20 | 0.30 |
| ▸ | AAK1 | Q2M2I8 | 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 | |
|---|---|---|---|---|
| SCHEMBL22940133 | 0.98 | HDAC6 (0.39) | CA14HDAC6HDAC1HDAC2CTSK | |
| SCHEMBL5563929 | 0.94 | HDAC6 (0.38) | CA14HDAC6HDAC1HDAC2CTSK | |
| SCHEMBL4613481 | 0.86 | HDAC6 (0.36) | CA14HDAC6HDAC1HDAC2CTSK | |
| SCHEMBL25720861 | 0.83 | ALDH1A1 (0.42) | CA14HDAC6HDAC1HDAC2CTSK | |
| SCHEMBL2478206 | 0.83 | TDP1 (0.44) | CA14HDAC6HDAC1HDAC2CTSK | |
| SCHEMBL3161597 | 0.83 | CA14 (0.41) | CA14HDAC6HDAC1HDAC2CTSK | |
| SCHEMBL8476324 | 0.83 | CA14 (0.41) | CA14HDAC6HDAC1HDAC2L3MBTL1 | |
| SCHEMBL10260946 | 0.82 | HDAC6 (0.40) | CA14HDAC6HDAC1HDAC2CTSK | |
| SCHEMBL25236870 | 0.81 | CA14 (0.43) | CA14HDAC6HDAC1HDAC2CTSK | |
| SCHEMBL12281742 | 0.81 | TDP1 (0.47) | CA14HDAC6HDAC1HDAC2CTSK |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20250145632-A1 | Pyrimidine Heterocyclic Compound, Preparation Method Thereof and use Thereof in Medicine | INSILICO MEDICINE IP LIMITED (HK) | 2025-05-08 | — | — | US | disclosed |
| WO-2024260325-A1 | SYNTHESIS OF MACROCYCLIC COMPOUND AND MEDICAL USE OF MACROCYCLIC COMPOUND | 英矽智能科技知识产权有限公司 | 2024-12-26 | — | — | WO | disclosed |
| EP-4455132-A1 | PYRIMIDINE HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE | Insilico Medicine IP Limited (HK) | 2024-10-30 | — | — | EP | disclosed |
| WO-2023116761-A1 | PYRIMIDINE HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE | 英矽智能科技知识产权有限公司 | 2023-06-29 | — | — | WO | disclosed |
| WO-2023116761-A1 | PYRIMIDINE HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE | 英矽智能科技知识产权有限公司 | 2023-06-29 | — | — | WO | disclosed |
| EP-3327016-B1 | PREPARATION OF MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMA (US) | 2021-06-16 | — | — | EP | disclosed |
| EP-3327016-A1 | PREPARATION OF MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | Vertex Pharmaceuticals Incorporated (US) | 2018-05-30 | — | — | EP | disclosed |
| EP-3091011-B1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMA (US) | 2017-12-27 | — | — | EP | disclosed |
| US-9758510-B2 | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2017-09-12 | — | — | US | disclosed |
| WO-2003013526-A1 | ANTICOAGULANT COMPOUNDS | MERCK & CO. INC. (US) | 2003-02-20 | — | — | 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-20250145632-A1 | Pyrimidine Heterocyclic Compound, Preparation Method Thereof and use Thereof in Medicine | DPYD, TYMP, NUDT1 | CA14 2694/4885HDAC6 1013/4885HDAC1 1255/4885 |
“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.