Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | MGAM | O43451 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | SI | P14410 | 1/20 | 0.33 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA7 | P43166 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2053579 | 0.79 | ACHE (0.39) | ACHEMGAMGAASIMGAM2 | |
| SCHEMBL2012041 | 0.78 | ACHE (0.46) | ACHEMGAMGAASIMGAM2 | |
| SCHEMBL2884608 | 0.78 | ACHE (0.42) | ACHECYP1A2CYP2A6CA1CA2 | |
| SCHEMBL16720251 | 0.76 | CA2 (0.35) | CA1CA2CA7CA9ALDH1A1 | |
| SCHEMBL2050039 | 0.76 | TAAR1 (0.37) | GAACYP1A2CYP2A6 | |
| SCHEMBL8129046 | 0.74 | ACHE (0.46) | ACHEMGAMGAASIMGAM2 | |
| SCHEMBL17514620 | 0.74 | ACHE (0.32) | ACHE | |
| SCHEMBL11659071 | 0.73 | TSHR (0.31) | ACHE | |
| SCHEMBL2049474 | 0.73 | TRPA1 (0.36) | — | |
| SCHEMBL2011907 | 0.72 | KDM4E (0.38) | ACHEMGAMGAASIMGAM2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2882722-B1 | QUINOXALINE DERIVATIVES AS GPR6 MODULATORS | TAKEDA PHARMACEUTICAL (JP) | 2016-07-27 | — | — | EP | disclosed |
| WO-2013182433-A1 | A PROCESS USING GRIGNARD REAGENTS | BASF SE (DE) | 2013-12-12 | — | — | WO | disclosed |
| EP-2547687-A1 | A PROCESS USING GRIGNARD REAGENTS | BASF SE (DE) | 2013-01-23 | — | — | EP | disclosed |
| EP-2513067-A1 | METHOD FOR PRODUCING TRIAZOLINTHIONE DERIVATIVES AND INTERMEDIATES THEREOF | BASF SE (DE) | 2012-10-24 | — | — | EP | disclosed |
| WO-2011113820-A1 | A PROCESS USING GRIGNARD REAGENTS | BASF SE (DE) | 2011-09-22 | — | — | WO | disclosed |
| WO-2011073145-A1 | METHOD FOR PRODUCING TRIAZOLINTHIONE DERIVATIVES AND INTERMEDIATES THEREOF | BASF SE (DE) | 2011-06-23 | — | — | WO | disclosed |