Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SHBG | P04278 | 2/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | GMNN | O75496 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 4/20 | 0.35 |
| ▸ | CA12 | O43570 | 2/20 | 0.32 |
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
| ▸ | MMP2 | P08253 | 2/20 | 0.32 |
| ▸ | CA9 | Q16790 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL17834060 | 0.84 | SHBG (0.52) | SHBGTP53KDM4EGMNNLMNA | |
| SCHEMBL4993233 | 0.84 | SHBG (0.52) | SHBGTP53KDM4EGMNNLMNA | |
| SCHEMBL11098099 | 0.81 | SHBG (0.42) | SHBGTP53KDM4EGMNNLMNA | |
| SCHEMBL15187940 | 0.81 | SHBG (0.42) | SHBGTP53KDM4EGMNNLMNA | |
| SCHEMBL11797019 | 0.77 | TP53 (0.41) | SHBGTP53KDM4EGMNNLMNA | |
| SCHEMBL31336308 | 0.77 | SHBG (0.61) | SHBGTP53KDM4EGMNNLMNA | |
| SCHEMBL19041998 | 0.75 | SHBG (0.39) | SHBG | |
| SCHEMBL21433164 | 0.74 | SHBG (0.46) | SHBGTP53KDM4EGMNNLMNA | |
| SCHEMBL9921613 | 0.73 | SHBG (0.44) | SHBGTP53KDM4EGMNNLMNA | |
| SCHEMBL295412 | 0.73 | SHBG (0.44) | SHBGTP53KDM4EGMNNLMNA |
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-2013170-B1 | 4-SQUARYLPIPERAZINE DERIVATIVES AS ANTIVIRAL AGENTS | BRISTOL MYERS SQUIBB CO (US) | 2012-06-27 | — | — | EP | disclosed |