Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.43 |
| ▸ | NPC1 | O15118 | 4/20 | 0.43 |
| ▸ | RAB9A | P51151 | 4/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | ESR1 | P03372 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.42 |
| ▸ | RNASEL | Q05823 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 7/20 | 0.36 |
| ▸ | CTSS | P25774 | 4/20 | 0.36 |
| ▸ | CTSL | P07711 | 2/20 | 0.36 |
| ▸ | CTSK | P43235 | 2/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6446330 | 0.96 | SMN1; SMN2 (0.48) | SMN1; SMN2NPC1RAB9ALMNATSHR | |
| SCHEMBL6443774 | 0.90 | NPC1 (0.55) | SMN1; SMN2NPC1RAB9ALMNATSHR | |
| SCHEMBL6442258 | 0.90 | SMN1; SMN2 (0.48) | SMN1; SMN2NPC1RAB9ALMNATSHR | |
| SCHEMBL6442192 | 0.89 | ESR1 (0.40) | SMN1; SMN2NPC1LMNAESR1CTSS | |
| SCHEMBL6445531 | 0.86 | NPC1 (0.60) | SMN1; SMN2NPC1RAB9ALMNATSHR | |
| SCHEMBL6442459 | 0.86 | SMN1; SMN2 (0.54) | SMN1; SMN2NPC1RAB9ALMNATSHR | |
| SCHEMBL6442609 | 0.85 | CTSS (0.37) | SMN1; SMN2ESR1CTSSCTSLCTSK | |
| SCHEMBL6446763 | 0.85 | ESR1 (0.41) | ESR1CTSSCTSLCTSKESR2 | |
| SCHEMBL6445255 | 0.85 | NPC1 (0.44) | SMN1; SMN2NPC1RAB9ALMNATSHR | |
| SCHEMBL6448170 | 0.85 | CTSK (0.42) | LMNATSHRESR1CYP1A2MAPK1 |
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 |