Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRA | P10827 | 1/20 | 0.57 |
| ▸ | THRB | P10828 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10775241 | 0.87 | THRA (0.61) | THRATHRBALDH1A1KMT2ATSHR | |
| SCHEMBL4713780 | 0.87 | — | — | |
| SCHEMBL4895568 | 0.80 | THRA (0.55) | THRATHRBALDH1A1KMT2ATSHR | |
| SCHEMBL2617044 | 0.79 | MAPT (0.38) | ALDH1A1TSHR | |
| SCHEMBL76462 | 0.79 | — | — | |
| SCHEMBL13165462 | 0.79 | MAPT (0.38) | ALDH1A1TSHR | |
| SCHEMBL13165512 | 0.79 | MAPT (0.38) | ALDH1A1TSHR | |
| SCHEMBL24524604 | 0.78 | THRA (0.53) | THRATHRBKMT2ATSHR | |
| SCHEMBL1581889 | 0.77 | — | — | |
| SCHEMBL1056492 | 0.77 | — | — |
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-2336105-B1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME | TAKEDA PHARMACEUTICAL (JP) | 2014-02-12 | — | — | EP | disclosed |