Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.58 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.58 |
| ▸ | MMP3 | P08254 | 5/20 | 0.56 |
| ▸ | MMP2 | P08253 | 5/20 | 0.55 |
| ▸ | HRH3 | Q9Y5N1 | 10/20 | 0.55 |
| ▸ | HRH2 | P25021 | 8/20 | 0.55 |
| ▸ | HRH1 | P35367 | 8/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | HPGD | P15428 | 2/20 | 0.51 |
| ▸ | MMP1 | P03956 | 1/20 | 0.51 |
| ▸ | MMP9 | P14780 | 1/20 | 0.51 |
| ▸ | MMP13 | P45452 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL16798363 | 1.00 | HDAC1 (0.58) | HDAC1HDAC2MMP3MMP2HRH3 | |
| SCHEMBL9852404 | 0.98 | MMP3 (0.57) | HDAC1HDAC2MMP3MMP2HRH3 | |
| SCHEMBL9653965 | 0.93 | MMP2 (0.58) | HDAC1HDAC2MMP3MMP2HRH3 | |
| SCHEMBL22645668 | 0.93 | HRH3 (0.54) | HDAC1HDAC2MMP3MMP2HRH3 | |
| SCHEMBL16841044 | 0.91 | HDAC1 (0.67) | HDAC1HDAC2MMP3MMP2HRH3 | |
| SCHEMBL29444063 | 0.91 | HDAC1 (0.67) | HDAC1HDAC2MMP3MMP2HRH3 | |
| SCHEMBL18079151 | 0.91 | HDAC1 (0.67) | HDAC1HDAC2MMP3MMP2HRH3 | |
| SCHEMBL26602050 | 0.89 | MMP3 (0.66) | HDAC1HDAC2MMP3MMP2HRH3 | |
| SCHEMBL28388624 | 0.87 | MMP2 (0.60) | HDAC1HDAC2MMP3MMP2HRH3 | |
| SCHEMBL2779902 | 0.87 | HRH3 (0.53) | HDAC1HDAC2MMP3MMP2HRH3 |
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-108218797-B | Liquid crystal molecule modified pyrimidine diamine monomer, liquid crystal orientation material derived from same and synthesis method thereof | 同济大学 | 2020-03-17 | — | — | CN | claimed |
| CN-108218797-B | Liquid crystal molecule modified pyrimidine diamine monomer, liquid crystal orientation material derived from same and synthesis method thereof | 同济大学 | 2020-03-17 | — | — | CN | disclosed |