Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.50 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | CASP6 | P55212 | 1/20 | 0.45 |
| ▸ | TPMT | P51580 | 1/20 | 0.44 |
| ▸ | DHODH | Q02127 | 2/20 | 0.44 |
| ▸ | HCAR3 | P49019 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | APEX1 | P27695 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4633149 | 0.85 | LMNA (0.43) | HSP90AA1ESR2TDP1TSHRDHODH | |
| SCHEMBL4633291 | 0.82 | KMT2A (0.48) | HSP90AA1LMNAGAAMAPTALDH1A1 | |
| SCHEMBL4633646 | 0.81 | LMNA (0.36) | HSP90AA1ESR2TDP1TSHRDHODH | |
| SCHEMBL1144471 | 0.80 | HSP90AA1 (0.57) | HSP90AA1ESR2TDP1DHODHALDH1A1 | |
| SCHEMBL29105517 | 0.78 | TDP1 (0.55) | HSP90AA1ESR2TDP1DHODHLMNA | |
| SCHEMBL30645299 | 0.78 | TDP1 (0.55) | HSP90AA1ESR2TDP1DHODHLMNA | |
| SCHEMBL1281660 | 0.77 | SMN1; SMN2 (0.42) | TSHRDHODHLMNAGAAMAPT | |
| SCHEMBL2919366 | 0.73 | DHODH (0.57) | DHODHMAPT | |
| SCHEMBL18371187 | 0.73 | TSHR (0.49) | TDP1TSHRCASP6TPMTHCAR3 | |
| SCHEMBL503451 | 0.73 | TSHR (0.65) | TDP1TSHRCASP6TPMTHCAR3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1926714-A1 | ISOTOPICALLY SUBSTITUTED BENZIMIDAZOLE DERIVATIVES | Nycomed GmbH (DE) | 2008-06-04 | — | — | EP | disclosed |
| WO-2007023135-A1 | ISOTOPICALLY SUBSTITUTED BENZIMIDAZOLE DERIVATIVES | NYCOMED GMBH (DE) | 2007-03-01 | — | — | WO | disclosed |