Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPY5R | Q15761 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.36 |
| ▸ | P2RX7 | Q99572 | 4/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.33 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | PIM1 | P11309 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3135323 | 0.69 | CYP11B2 (0.47) | NPY5RALDH1A1CYP11B2 | |
| SCHEMBL28761033 | 0.69 | CYP11B2 (0.47) | NPY5RALDH1A1CYP11B2 | |
| SCHEMBL4017343 | 0.68 | HDAC3 (0.33) | ALDH1A1CYP11B2KDM4EHDAC3HDAC1 | |
| SCHEMBL20995461 | 0.67 | CYP11B2 (0.44) | NPY5RALDH1A1CYP11B2PIM1 | |
| SCHEMBL2355700 | 0.66 | CYP11B2 (0.40) | NPY5RALDH1A1CYP11B2HTTKDM4E | |
| SCHEMBL17755587 | 0.65 | PIM1 (0.45) | NPY5RHTTRECQLKDM4EHRH3 | |
| SCHEMBL17755586 | 0.65 | HTT (0.42) | NPY5RHTTRECQLKDM4EHRH3 | |
| SCHEMBL548100 | 0.65 | OPRL1 (0.45) | ALDH1A1CYP11B2KDM4E | |
| SCHEMBL25419095 | 0.65 | HRH3 (0.34) | CYP11B2P2RX7CHEK1CCNA2CDK2 | |
| SCHEMBL28197535 | 0.63 | MAP4K4 (0.40) | NPY5RCYP11B2 |
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-105814022-A | Fused bicyclic heteroaromatic derivatives as modulators of tnf activity | UCB生物制药私人有限公司 | 2016-07-27 | — | — | CN | disclosed |