Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.41 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.40 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.40 |
| ▸ | PTGFR | P43088 | 1/20 | 0.40 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.40 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.40 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.40 |
| ▸ | SOX18 | P35713 | 1/20 | 0.38 |
| ▸ | GHSR | Q92847 | 2/20 | 0.38 |
| ▸ | SLC13A5 | Q86YT5 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.35 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6443833 | 1.00 | SIGMAR1 (0.41) | SIGMAR1PDPK1CYP1A2TBXA2RPTGER4 | |
| SCHEMBL6822577 | 0.87 | LTB4R (0.43) | LTB4RLTB4R2 | |
| SCHEMBL6822576 | 0.87 | LTB4R (0.43) | LTB4RLTB4R2 | |
| SCHEMBL6442445 | 0.87 | PDPK1 (0.40) | SIGMAR1PDPK1CYP1A2TBXA2RPTGER4 | |
| SCHEMBL6442442 | 0.87 | PDPK1 (0.40) | SIGMAR1PDPK1CYP1A2TBXA2RPTGER4 | |
| SCHEMBL6446464 | 0.82 | OPRM1 (0.38) | CYP1A2LTB4RLTB4R2 | |
| SCHEMBL6446460 | 0.82 | OPRM1 (0.38) | CYP1A2LTB4RLTB4R2 | |
| SCHEMBL6184235 | 0.79 | CTSL (0.45) | SIGMAR1CYP1A2SLC13A5ACHEBCHE | |
| SCHEMBL6445383 | 0.73 | ALDH1A1 (0.39) | LTB4RLTB4R2 | |
| SCHEMBL6445379 | 0.73 | ALDH1A1 (0.39) | LTB4RLTB4R2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1575903-A1 | COMPOUNDS FOR THE INHIBITION OF ROTAMASES | Jerini AG (DE) | 2005-09-21 | — | — | EP | claimed |
| WO-2004065353-A1 | COMPOUNDS FOR THE INHIBITION OF ROTAMASES | JERINI AG (DE) | 2004-08-05 | — | — | WO | claimed |
| WO-2004056755-A2 | COMPOUNDS FOR THE INHIBITION OF NON-PROTEOLYTIC ENZYMES | JERENI AG (DE) | 2004-07-08 | — | — | WO | claimed |
| WO-2004056755-A2 | COMPOUNDS FOR THE INHIBITION OF NON-PROTEOLYTIC ENZYMES | JERENI AG (DE) | 2004-07-08 | — | — | WO | disclosed |