Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGES | O14684 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | NOX4 | Q9NPH5 | 2/20 | 0.47 |
| ▸ | RGS12 | O14924 | 1/20 | 0.47 |
| ▸ | EGFR | P00533 | 1/20 | 0.47 |
| ▸ | LCK | P06239 | 1/20 | 0.47 |
| ▸ | CAMKK2 | Q96RR4 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | LDHA | P00338 | 1/20 | 0.46 |
| ▸ | LDHB | P07195 | 1/20 | 0.46 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.46 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.46 |
| ▸ | ALB | P02768 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | CRHBP | P24387 | 1/20 | 0.45 |
| ▸ | CASP3 | P42574 | 1/20 | 0.45 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.45 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL6225219 | 0.95 | NPC1 (0.46) | PTGESALDH1A1MAPTNOX4RGS12 | |
| SCHEMBL4347601 | 0.90 | NPC1 (0.49) | ALDH1A1MAPTNOX4RGS12EGFR | |
| SCHEMBL4341945 | 0.87 | EGFR (0.53) | PTGESALDH1A1MAPTEGFRTDP1 | |
| SCHEMBL6225218 | 0.87 | NPC1 (0.41) | PTGESALDH1A1MAPTNOX4RGS12 | |
| SCHEMBL4350893 | 0.86 | ALB (0.46) | PTGESALDH1A1MAPTEGFRTBXA2R | |
| SCHEMBL4341695 | 0.86 | ALB (0.48) | PTGESALDH1A1MAPTEGFRTDP1 | |
| SCHEMBL4358509 | 0.86 | ALB (0.46) | PTGESALDH1A1MAPTEGFRTBXA2R | |
| SCHEMBL4341720 | 0.85 | NOX4 (0.58) | ALDH1A1MAPTNOX4RGS12EGFR | |
| SCHEMBL4357515 | 0.83 | NOX4 (0.62) | ALDH1A1MAPTNOX4RGS12EGFR | |
| SCHEMBL27749183 | 0.82 | EGFR (0.67) | ALDH1A1MAPTNOX4RGS12EGFR |
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 |