Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 3/20 | 0.71 |
| ▸ | CA1 | P00915 | 2/20 | 0.71 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.58 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | HTR2C | P28335 | 2/20 | 0.39 |
| ▸ | HTR2B | P41595 | 2/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | CHKA | P35790 | 1/20 | 0.37 |
| ▸ | APLNR | P35414 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 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 | |
|---|---|---|---|---|
| Piperidine SCHEMBL16798704 | 0.93 | CA2 (0.59) | CA2CA1KDM4EPOLBALDH1A1 | |
| SCHEMBL30440853 | 0.86 | KDM4E (0.58) | CA2CA1KDM4EALDH1A1TSHR | |
| SCHEMBL2017488 | 0.84 | CA1 (1.00) | CA2CA1KDM4EPOLBALDH1A1 | |
| SCHEMBL392889 | 0.84 | CA1 (1.00) | CA2CA1KDM4EPOLBALDH1A1 | |
| SCHEMBL2724764 | 0.84 | CA1 (1.00) | CA2CA1KDM4EPOLBALDH1A1 | |
| SCHEMBL21356989 | 0.84 | CA1 (1.00) | CA2CA1KDM4EPOLBALDH1A1 | |
| Hydrochloric Acid SCHEMBL9934025 | 0.84 | KDM4E (0.56) | CA2CA1KDM4EALDH1A1TSHR | |
| SCHEMBL4532386 | 0.84 | CA1 (0.54) | CA2CA1KDM4EPOLBTSHR | |
| SCHEMBL28174597 | 0.82 | CA1 (0.94) | CA2CA1KDM4EPOLBALDH1A1 | |
| SCHEMBL2723676 | 0.82 | — | — |
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-1527051-A1 | PYRIMIDYL SULPHONE AMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS | Astrazeneca AB (SE) | 2005-05-04 | — | — | EP | disclosed |
| WO-2004011443-A1 | PYRIMIDYL SULPHONE AMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS | ASTRAZENECA AB (SE) | 2004-02-05 | — | — | WO | disclosed |