Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.57 |
| ▸ | CA2 | P00918 | 2/20 | 0.57 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.49 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.49 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.49 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.49 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.49 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.49 |
| ▸ | TACR3 | P29371 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | MMP12 | P39900 | 1/20 | 0.47 |
| ▸ | MMP13 | P45452 | 1/20 | 0.47 |
| ▸ | GPR132 | Q9UNW8 | 1/20 | 0.45 |
| ▸ | FPR2 | P25090 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Benzoic Acid SCHEMBL6534685 | 0.88 | CA1 (0.63) | CA1CA2HDAC4HDAC1HDAC7 | |
| SCHEMBL10102772 | 0.85 | CA1 (0.69) | CA1CA2HDAC4HDAC1HDAC7 | |
| SCHEMBL18232126 | 0.85 | CA1 (0.69) | CA1CA2HDAC4HDAC1HDAC7 | |
| SCHEMBL1649573 | 0.85 | CA1 (0.69) | CA1CA2HDAC4HDAC1HDAC7 | |
| SCHEMBL1285702 | 0.79 | ALOX5 (0.58) | CA1CA2SMN1; SMN2MEN1KMT2A | |
| SCHEMBL1285898 | 0.79 | ALOX5 (0.58) | CA1CA2SMN1; SMN2MEN1KMT2A | |
| SCHEMBL1708187 | 0.79 | ALOX5 (0.58) | CA1CA2SMN1; SMN2MEN1KMT2A | |
| SCHEMBL4677603 | 0.78 | CA1 (0.64) | CA1CA2HDAC1SMN1; SMN2MEN1 | |
| SCHEMBL23864247 | 0.77 | KDM4E (0.53) | CA1CA2HDAC4HDAC1HDAC7 | |
| SCHEMBL16088670 | 0.77 | KDM4E (0.53) | CA1CA2HDAC4HDAC1HDAC7 |
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-111378147-A | Novel chiral MOF material and preparation method and application thereof | 西北师范大学 | 2020-07-07 | — | — | CN | claimed |
| CN-111378147-A | Novel chiral MOF material and preparation method and application thereof | 西北师范大学 | 2020-07-07 | — | — | CN | disclosed |