Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.53 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.53 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.53 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.53 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | LPAR3 | Q9UBY5 | 1/20 | 0.47 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.46 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.46 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.46 |
| ▸ | CDK14 | O94921 | 3/20 | 0.45 |
| ▸ | CCNY | Q8ND76 | 3/20 | 0.45 |
| ▸ | PARP14 | Q460N5 | 2/20 | 0.45 |
| ▸ | NAMPT | P43490 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | KCNK9 | Q9NPC2 | 2/20 | 0.43 |
| ▸ | KCNK3 | O14649 | 2/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28421495 | 1.00 | HDAC3 (0.53) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL21282758 | 0.88 | CDK14 (0.57) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL28421375 | 0.88 | CDK14 (0.57) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL21282759 | 0.81 | EGFR (0.48) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL28424597 | 0.81 | EGFR (0.48) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL31396764 | 0.80 | KMT2A (0.59) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL21481530 | 0.78 | CDK14 (0.50) | CDK14CCNYNAMPTIRAK1 | |
| SCHEMBL23899079 | 0.78 | NAMPT (0.65) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL25844198 | 0.78 | KCNK9 (0.56) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL7074306 | 0.77 | NAMPT (0.57) | HDAC3HDAC1HDAC2HDAC8HDAC6 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111247137-A | Pyrimidine compound, preparation method and medical application thereof | 恩瑞生物医药科技（上海）有限公司 | 2020-06-05 | — | — | CN | disclosed |
| WO-2019157959-A1 | PYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF | 恩瑞生物医药科技（上海）有限公司 | 2019-08-22 | — | — | WO | disclosed |