Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | CCR3 | P51677 | 1/20 | 0.42 |
| ▸ | C3AR1 | Q16581 | 5/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
| ▸ | F2R | P25116 | 3/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.37 |
| ▸ | MME | P08473 | 2/20 | 0.36 |
| ▸ | TACR1 | P25103 | 1/20 | 0.36 |
| ▸ | TACR3 | P29371 | 1/20 | 0.36 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5168702 | 1.00 | HDAC1 (0.43) | HDAC1HDAC8HDAC6CCR3C3AR1 | |
| SCHEMBL5014051 | 0.76 | ALDH1A1 (0.58) | C3AR1 | |
| SCHEMBL7732335 | 0.75 | CES1 (0.49) | HDAC1HDAC8HDAC6PTPN1CES1 | |
| SCHEMBL18687973 | 0.72 | TACR1 (0.42) | HDAC1CCR3TACR1 | |
| SCHEMBL21129189 | 0.70 | ALDH1A1 (0.52) | C3AR1 | |
| SCHEMBL801034 | 0.69 | HDAC1 (0.42) | HDAC1HDAC8HDAC6C3AR1SMYD3 | |
| SCHEMBL5014182 | 0.68 | ALDH1A1 (0.56) | CCR3C3AR1 | |
| SCHEMBL6466167 | 0.68 | CES1 (0.46) | HDAC1HDAC8HDAC6PTPN1CES1 | |
| SCHEMBL12522548 | 0.67 | CCR3 (0.40) | HDAC1HDAC8HDAC6CCR3 | |
| Hydrochloric Acid SCHEMBL8169354 | 0.66 | ALPI (0.42) | PTPN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008009942-A1 | HETEROAROMATIC-BASED PEPTIDE MACROCYCLES AS G-QUADRUPLEX LIGANDS | CAMBRIDGE ENTERPRISE LTD. (GB) | 2008-01-24 | — | — | WO | disclosed |