Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRK1 | P41145 | 3/20 | 0.45 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | CTSS | P25774 | 3/20 | 0.40 |
| ▸ | CTSB | P07858 | 2/20 | 0.40 |
| ▸ | CTSK | P43235 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | FKBP1A | P62942 | 2/20 | 0.39 |
| ▸ | CTSL | P07711 | 2/20 | 0.39 |
| ▸ | MMP2 | P08253 | 1/20 | 0.39 |
| ▸ | MMP9 | P14780 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | ACE | P12821 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6964692 | 1.00 | OPRK1 (0.45) | OPRK1CASP1CTSSCTSBCTSK | |
| SCHEMBL6965719 | 0.90 | FKBP1A (0.37) | FKBP1AMAPT | |
| SCHEMBL6965713 | 0.90 | FKBP1A (0.37) | FKBP1AMAPT | |
| SCHEMBL6968285 | 0.84 | OPRK1 (0.49) | OPRK1CTSSCYP3A4TSHRALDH1A1 | |
| SCHEMBL6968288 | 0.84 | OPRK1 (0.49) | OPRK1CTSSCYP3A4TSHRALDH1A1 | |
| SCHEMBL6962479 | 0.81 | FKBP1A (0.39) | FKBP1ATP53 | |
| SCHEMBL6962467 | 0.81 | FKBP1A (0.39) | FKBP1ATP53 | |
| SCHEMBL6958233 | 0.73 | JAK2 (0.32) | ALDH1A1FKBP1A | |
| SCHEMBL6967183 | 0.73 | JAK2 (0.32) | ALDH1A1FKBP1A | |
| SCHEMBL6970227 | 0.72 | CCR4 (0.42) | OPRK1TSHRFKBP1A |
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-1060178-B1 | HETEROCYCLIC COMPOUNDS AS INHIBITORS OF ROTAMASE ENZYMES | PFIZER (US) | 2003-09-03 | — | — | EP | disclosed |
| US-6610707-B1 | Moderate neuronal regeneration and outgrowth and can be used for treating neurological disorders arising from neurodegenerative diseases and nerve damage. | PFIZER INC. | 2003-08-26 | — | — | US | disclosed |
| EP-1060178-A1 | HETEROCYCLIC COMPOUNDS AS INHIBITORS OF ROTAMASE ENZYMES | PFIZER INC. (US) | 2000-12-20 | — | — | EP | disclosed |
| WO-1999045006-A1 | HETEROCYCLIC COMPOUNDS AS INHIBITORS OF ROTAMASE ENZYMES | PFIZER INC. (US) | 1999-09-10 | — | — | WO | disclosed |