Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.52 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.52 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.52 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.52 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.52 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.52 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.52 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | FABP7 | O15540 | 1/20 | 0.36 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL106257 | 0.79 | HDAC4 (0.57) | HDAC3HDAC4HDAC7HDAC8HDAC6 | |
| Bromomethane SCHEMBL4427405 | 0.76 | HDAC4 (0.53) | HDAC3HDAC4HDAC7HDAC8HDAC6 | |
| SCHEMBL18025887 | 0.76 | POLB (0.56) | HDAC3HDAC4HDAC7HDAC8HDAC6 | |
| SCHEMBL9425106 | 0.76 | HDAC3 (0.48) | HDAC3HDAC4HDAC7HDAC8HDAC6 | |
| SCHEMBL9425110 | 0.76 | HDAC3 (0.48) | HDAC3HDAC4HDAC7HDAC8HDAC6 | |
| SCHEMBL12724361 | 0.76 | CYP1A2 (0.49) | HDAC3HDAC4HDAC7HDAC8HDAC6 | |
| SCHEMBL27505801 | 0.76 | HDAC3 (0.48) | HDAC3HDAC4HDAC7HDAC8HDAC6 | |
| SCHEMBL14369818 | 0.76 | ATM (0.45) | HDAC3HDAC4HDAC7HDAC8HDAC6 | |
| SCHEMBL30250175 | 0.76 | ATM (0.61) | HDAC3HDAC4HDAC7HDAC8HDAC6 | |
| SCHEMBL3143561 | 0.76 | ATM (0.61) | HDAC3HDAC4HDAC7HDAC8HDAC6 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108350028-A | PEPTIDE MACROCYCLES AGAINST ACINETOBACTER BAUMANNII | 豪夫迈·罗氏有限公司 | 2018-07-31 | — | — | CN | disclosed |