Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | CCR1 | P32246 | 2/20 | 0.49 |
| ▸ | CCR5 | P51681 | 2/20 | 0.49 |
| ▸ | CCR8 | P51685 | 2/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | ALPL | P05186 | 1/20 | 0.49 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.49 |
| ▸ | ALPI | P09923 | 1/20 | 0.49 |
| ▸ | ALPG | P10696 | 1/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | TGFBR1 | P36897 | 6/20 | 0.45 |
| ▸ | TRPV1 | Q8NER1 | 3/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL31055836 | 0.89 | KDM4E (0.62) | KDM4ELMNACCR1CCR5CCR8 | |
| SCHEMBL5786082 | 0.85 | KDM4E (0.53) | KDM4ELMNACCR1CCR5CCR8 | |
| SCHEMBL5633776 | 0.84 | KDM4E (0.56) | KDM4ELMNACCR1CCR5CCR8 | |
| SCHEMBL1368863 | 0.84 | KDM4E (0.60) | KDM4ELMNACCR1CCR5CCR8 | |
| SCHEMBL8526559 | 0.82 | CCR1 (0.53) | KDM4ELMNACCR1CCR5CCR8 | |
| SCHEMBL29827669 | 0.82 | NPC1 (0.57) | KDM4ELMNACCR1CCR5CCR8 | |
| SCHEMBL21596186 | 0.82 | CCR1 (0.53) | KDM4ELMNACCR1CCR5CCR8 | |
| SCHEMBL27938637 | 0.82 | NPC1 (0.57) | KDM4ELMNACCR1CCR5CCR8 | |
| SCHEMBL30662279 | 0.81 | KDM4E (0.56) | KDM4ELMNACCR1CCR5CCR8 | |
| SCHEMBL31039993 | 0.79 | TRPV1 (0.52) | KDM4ELMNACCR1CCR5CCR8 |
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-1703976-A2 | USE OF METAL COMPLEX COMPOUNDS COMPRISING PYRIDINE, PYRIMIDINE OR S-TRIAZINE DERIVED LIGANDS AS CATALYSTS FOR OXIDATIONS WITH ORGANIC PEROXY ACIDS AND/OR PRECURSORS OF ORGANIC PEROXY ACIDS AND H2O2 | Ciba Specialty Chemicals Holding Inc. (CH) | 2006-09-27 | — | — | EP | disclosed |
| WO-2005068074-A2 | USE OF METAL COMPLEX COMPOUNDS COMPRISING PYRIDINE PRYIMIDINE OR S-TRIAZNE DERIVED LIGANDS AS CATALYSTS FOR OXIDATIONS WITH ORGANIC PEROXY ACIDS AND/OR PRECURSORS OF ORGANIC PEROXY ACID AND H2O2 | CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) | 2005-07-28 | — | — | WO | disclosed |