Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 11/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 8/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 8/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HDAC10 | Q969S8 | 4/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.42 |
| ▸ | HDAC9 | Q9UKV0 | 3/20 | 0.42 |
| ▸ | HDAC5 | Q9UQL6 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CFTR | P13569 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | NCOR2 | Q9Y618 | 3/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.40 |
| ▸ | MAPK13 | O15264 | 2/20 | 0.38 |
| ▸ | MAPK12 | P53778 | 2/20 | 0.38 |
| ▸ | MAPK11 | Q15759 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL25502829 | 0.80 | HDAC1 (0.46) | HDAC1HDAC3HDAC2MAPK1HDAC10 | |
| SCHEMBL28090478 | 0.79 | PDK1 (0.46) | ALDH1A1NPC1RAB9AELANECETP | |
| SCHEMBL28090565 | 0.79 | LMNA (0.49) | MAPK1ALDH1A1NPC1RAB9ALMNA | |
| SCHEMBL28832949 | 0.79 | PDK1 (0.51) | ALDH1A1NPC1RAB9ALMNA | |
| SCHEMBL28018573 | 0.78 | KDM4E (0.52) | ALDH1A1HSD17B10LMNA | |
| SCHEMBL28339992 | 0.78 | HDAC1 (0.44) | HDAC1HDAC3HDAC2ALDH1A1NCOR2 | |
| SCHEMBL28876956 | 0.77 | POLB (0.49) | MAPK1ALDH1A1NPC1RAB9ALMNA | |
| SCHEMBL28148996 | 0.74 | ALDH1A1 (0.45) | ALDH1A1HSD17B10NPC1RAB9AELANE | |
| SCHEMBL31285956 | 0.73 | HDAC3 (0.41) | HDAC1HDAC3HDAC2MAPK1HDAC10 | |
| SCHEMBL2733296 | 0.73 | CETP (0.61) | HDAC1HDAC3HDAC2MAPK1HDAC10 |
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-103864792-B | Heterocyclic nitrogen compound acting as tyrosine kinase inhibitor | 山东亨利医药科技有限责任公司 | 2017-01-18 | — | — | CN | disclosed |
| CN-105367503-A | HETEROARYL COMPOUNDS AND USES THEREOF | AVILA THERAPEUTICS INC | 2016-03-02 | — | — | CN | disclosed |
| CN-105188371-A | Erk inhibitors and uses thereof | CELGENE AVILOMICS RES INC | 2015-12-23 | — | — | CN | disclosed |
| CN-101902911-B | Heteroaryl compounds and uses thereof | AVILA THERAPEUTICS, INC. (US) | 2015-12-16 | — | — | CN | disclosed |
| CN-105120860-A | Histone deacetylase inhibitors | BIOMARIN PHARM INC | 2015-12-02 | — | — | CN | disclosed |