Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | PNMT | P11086 | 1/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.44 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.44 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.44 |
| ▸ | MMP8 | P22894 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL30836057 | 0.93 | CES2 (0.49) | CES2PNMTTHRBKMT2AALDH1A1 | |
| SCHEMBL1043810 | 0.93 | CES2 (0.49) | CES2PNMTTHRBKMT2AALDH1A1 | |
| SCHEMBL11432112 | 0.89 | EPHX1 (0.52) | CES2PNMTTHRBKMT2AALDH1A1 | |
| SCHEMBL10583768 | 0.86 | CES2 (0.44) | CES2PNMTTHRBKMT2AALDH1A1 | |
| Hydrochloric Acid SCHEMBL10386368 | 0.85 | EPHX1 (0.44) | CES2PNMTTHRBKMT2AALDH1A1 | |
| SCHEMBL10727655 | 0.85 | ALDH1A1 (0.43) | CES2PNMTTHRBKMT2AALDH1A1 | |
| SCHEMBL3458826 | 0.85 | CES2 (0.55) | CES2PNMTKMT2AALDH1A1SMN1; SMN2 | |
| SCHEMBL13228087 | 0.83 | CES2 (0.47) | CES2PNMTTHRBKMT2AALDH1A1 | |
| SCHEMBL3964941 | 0.83 | SMN1; SMN2 (0.48) | CES2PNMTTHRBKMT2AALDH1A1 | |
| SCHEMBL16024763 | 0.83 | CES2 (0.48) | CES2PNMTTHRBKMT2AALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008121861-A2 | PYRAZOLE AND PYRROLE COMPOUNDS USEFUL IN TREATING IRON DISORDERS | XENON PHARMACEUTICALS INC. (CA) | 2008-10-09 | — | — | WO | disclosed |
| EP-0972770-B1 | Acaricidal and insecticidal substituted pyrimidines and a process for the preparation thereof | BASF AG (DE) | 2001-09-19 | — | — | EP | disclosed |
| US-6281219-B1 | 4,6-BIS-ARYL-PYRIMIDINES WHEREIN THE AROMATIC GROUPS ARE ATTACHED VIA TWO LINKING GROUPS WHICH ARE DIFFERENT FROM ONE ANOTHER. | AMERICAN CYANAMID CO. | 2001-08-28 | — | — | US | disclosed |
| EP-0972770-A1 | Acaricidal and insecticidal substituted pyrimidines and a process for the preparation thereof | American Cyanamid Company (US) | 2000-01-19 | — | — | EP | disclosed |