Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | CES2 | O00748 | 1/20 | 0.50 |
| ▸ | CES1 | P23141 | 1/20 | 0.50 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.48 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.48 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.48 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.48 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.48 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.48 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 2/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | PARP1 | P09874 | 1/20 | 0.48 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.47 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.47 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL14101816 | 0.94 | ALDH1A1 (0.48) | ALDH1A1CES2CES1HDAC3HDAC4 | |
| SCHEMBL7801944 | 0.81 | ALDH1A1 (0.50) | ALDH1A1CES2CES1HDAC3HDAC4 | |
| SCHEMBL7799507 | 0.80 | CHRM2 (0.47) | ALDH1A1CES2CES1HDAC3HDAC4 | |
| SCHEMBL12221563 | 0.78 | CES2 (0.61) | ALDH1A1CES2CES1HDAC3HDAC4 | |
| SCHEMBL382162 | 0.77 | ALDH1A1 (0.56) | ALDH1A1CES2CES1HDAC3HDAC4 | |
| SCHEMBL1248647 | 0.76 | SMN1; SMN2 (0.65) | ALDH1A1CES2CES1POLBNPSR1 | |
| SCHEMBL30666361 | 0.76 | ALDH1A1 (0.59) | ALDH1A1CES2CES1HDAC3HDAC4 | |
| SCHEMBL733307 | 0.76 | CES2 (0.67) | ALDH1A1CES2CES1HDAC3HDAC4 | |
| SCHEMBL1924400 | 0.75 | ALDH1A1 (0.47) | ALDH1A1CES2CES1POLBNPSR1 | |
| SCHEMBL7028931 | 0.75 | KMT2A (0.56) | ALDH1A1CES2CES1HDAC3HDAC4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1953147-A1 | HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF | Japan Tobacco, Inc. (JP) | 2008-08-06 | — | — | EP | disclosed |