Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM5B | Q9UGL1 | 3/20 | 0.37 |
| ▸ | BCL3 | P20749 | 4/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.34 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.34 |
| ▸ | CDK2 | P24941 | 2/20 | 0.34 |
| ▸ | CDK9 | P50750 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL14386113 | 0.95 | SMYD2 (0.34) | KDM4EHSD17B10 | |
| SCHEMBL14385555 | 0.91 | CYP2C9 (0.41) | KDM5BBCL3HPGDKDM4EALDH1A1 | |
| SCHEMBL14386354 | 0.91 | KDM4E (0.34) | HPGDKDM4EALDH1A1SMN1; SMN2CYP1A2 | |
| SCHEMBL14386112 | 0.87 | ALDH1A1 (0.34) | ALDH1A1SMN1; SMN2GAA | |
| SCHEMBL2629097 | 0.86 | CYP2C9 (0.42) | KDM5BBCL3HPGDKDM4EALDH1A1 | |
| SCHEMBL14385644 | 0.86 | CYP2C9 (0.42) | ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL14385558 | 0.85 | CYP2C9 (0.41) | HPGDKDM4EALDH1A1HSD17B10CYP1A2 | |
| SCHEMBL14385667 | 0.83 | HPGDS (0.36) | KMT2ACYP1A2CYP2C19 | |
| SCHEMBL14385669 | 0.83 | CYP2C9 (0.33) | CYP1A2CYP2C19 | |
| SCHEMBL15204074 | 0.82 | KDM5B (0.40) | KDM5BBCL3HPGDKDM4EALDH1A1 |
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-2007127635-A2 | DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-11-08 | — | — | WO | disclosed |