Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATG4B | Q9Y4P1 | 12/20 | 0.35 |
| ▸ | PLA2G1B | P04054 | 10/20 | 0.35 |
| ▸ | THRA | P10827 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 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 | |
|---|---|---|---|---|
| SCHEMBL6446750 | 1.00 | ATG4B (0.35) | ATG4BPLA2G1BTHRATHRBCYP1A2 | |
| SCHEMBL6445379 | 0.90 | ALDH1A1 (0.39) | ZDHHC20ALDH1A1MAPTKMT2A | |
| SCHEMBL6445383 | 0.90 | ALDH1A1 (0.39) | ZDHHC20ALDH1A1MAPTKMT2A | |
| SCHEMBL6446464 | 0.85 | OPRM1 (0.38) | ATG4BPLA2G1BTHRATHRBCYP1A2 | |
| SCHEMBL6446460 | 0.85 | OPRM1 (0.38) | ATG4BPLA2G1BTHRATHRBCYP1A2 | |
| SCHEMBL6442445 | 0.83 | PDPK1 (0.40) | CYP1A2 | |
| SCHEMBL6442442 | 0.83 | PDPK1 (0.40) | CYP1A2 | |
| SCHEMBL6822577 | 0.75 | LTB4R (0.43) | ALDH1A1MAPTKMT2A | |
| SCHEMBL6822576 | 0.75 | LTB4R (0.43) | ALDH1A1MAPTKMT2A | |
| SCHEMBL6446134 | 0.74 | ZDHHC20 (0.40) | ZDHHC20 |
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-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 |
| EP-1575903-A1 | COMPOUNDS FOR THE INHIBITION OF ROTAMASES | Jerini AG (DE) | 2005-09-21 | — | — | EP | disclosed |
| WO-2004065353-A1 | COMPOUNDS FOR THE INHIBITION OF ROTAMASES | JERINI AG (DE) | 2004-08-05 | — | — | WO | disclosed |
| WO-2004056755-A2 | COMPOUNDS FOR THE INHIBITION OF NON-PROTEOLYTIC ENZYMES | JERENI AG (DE) | 2004-07-08 | — | — | WO | disclosed |