Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.79 |
| ▸ | TLR2 | O60603 | 4/20 | 0.49 |
| ▸ | TLR1 | Q15399 | 2/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.43 |
| ▸ | TNF | P01375 | 2/20 | 0.43 |
| ▸ | CASP3 | P42574 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL19919101 | 0.91 | KMT2A (0.70) | KMT2ATLR2TLR1HTTEPHX2 | |
| SCHEMBL178758 | 0.88 | KMT2A (1.00) | KMT2ATLR2TLR1HTTEPHX2 | |
| SCHEMBL2182769 | 0.88 | KMT2A (1.00) | KMT2ATLR2TLR1HTTEPHX2 | |
| SCHEMBL178760 | 0.88 | KMT2A (1.00) | KMT2ATLR2TLR1HTTEPHX2 | |
| SCHEMBL178762 | 0.88 | KMT2A (1.00) | KMT2ATLR2TLR1HTTEPHX2 | |
| SCHEMBL178895 | 0.88 | KMT2A (1.00) | KMT2ATLR2TLR1HTTEPHX2 | |
| SCHEMBL178890 | 0.88 | KMT2A (1.00) | KMT2ATLR2TLR1HTTEPHX2 | |
| SCHEMBL25143 | 0.88 | KMT2A (1.00) | KMT2ATLR2TLR1HTTEPHX2 | |
| SCHEMBL178892 | 0.88 | KMT2A (1.00) | KMT2ATLR2TLR1HTTEPHX2 | |
| SCHEMBL178894 | 0.88 | KMT2A (1.00) | KMT2ATLR2TLR1HTTEPHX2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0643778-B1 | ENCODED COMBINATORIAL CHEMICAL LIBRARIES | SCRIPPS RESEARCH INST (US) | 2000-05-31 | — | — | EP | disclosed |
| EP-0643778-A4 | ENCODED COMBINATORIAL CHEMICAL LIBRARIES. | SCRIPPS RESEARCH INST (US) | 1995-09-20 | — | — | EP | disclosed |
| EP-0643778-A1 | ENCODED COMBINATORIAL CHEMICAL LIBRARIES | THE SCRIPPS RESEARCH INSTITUTE (US) | 1995-03-22 | — | — | EP | disclosed |
| WO-1993020242-A1 | ENCODED COMBINATORIAL CHEMICAL LIBRARIES | THE SCRIPPS RESEARCH INSTITUTE (US) | 1993-10-14 | — | — | WO | disclosed |