Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALB | P02768 | 1/20 | 0.46 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.45 |
| ▸ | PTGES | O14684 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 4/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | GAA | P10253 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | APP | P05067 | 1/20 | 0.44 |
| ▸ | CRHBP | P24387 | 1/20 | 0.44 |
| ▸ | CASP3 | P42574 | 1/20 | 0.44 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.44 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.44 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.44 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.44 |
| ▸ | PDE7A | Q13946 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4345719 | 0.92 | NPC1 (0.48) | ALBMEN1KMT2AGAAMAPT | |
| SCHEMBL4354093 | 0.90 | TBXA2R (0.46) | ALBTBXA2RPTGESMEN1KMT2A | |
| SCHEMBL4341945 | 0.89 | EGFR (0.53) | ALBTBXA2RPTGESMEN1KMT2A | |
| SCHEMBL4341695 | 0.88 | ALB (0.48) | ALBTBXA2RPTGESMEN1KMT2A | |
| SCHEMBL4358509 | 0.88 | ALB (0.46) | ALBTBXA2RPTGESMEN1KMT2A | |
| SCHEMBL4350329 | 0.86 | PTGES (0.48) | ALBTBXA2RPTGESMEN1KMT2A | |
| SCHEMBL6225219 | 0.86 | NPC1 (0.46) | ALBTBXA2RPTGESMEN1KMT2A | |
| SCHEMBL4342184 | 0.85 | MAPT (0.47) | ALBMEN1KMT2AGAAMAPT | |
| SCHEMBL4344437 | 0.84 | MAPT (0.48) | TBXA2RPTGESMEN1KMT2AGAA | |
| SCHEMBL4341835 | 0.84 | TBXA2R (0.44) | TBXA2RPTGESMEN1KMT2AGAA |
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-2100876-A2 | New compounds for the inhibition of rotamases and use thereof | Jerini AG (DE) | 2009-09-16 | — | — | EP | claimed |
| CN-1701061-A | Novel compounds for inhibiting rotamase enzymes and uses thereof | JERINI AG (DE) | 2005-11-23 | — | — | CN | claimed |
| WO-2004030664-A2 | NEW COMPOUNDS FOR THE INHIBITION OF UNDESIRED CELL PROLIFERATION AND USE THEREOF | JERINI AG (DE) | 2004-04-15 | — | — | WO | claimed |
| EP-2100876-A2 | New compounds for the inhibition of rotamases and use thereof | Jerini AG (DE) | 2009-09-16 | — | — | EP | disclosed |