Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | MMP8 | P22894 | 1/20 | 0.40 |
| ▸ | MMP12 | P39900 | 1/20 | 0.40 |
| ▸ | MMP13 | P45452 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | FKBP1A | P62942 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6968537 | 0.85 | ALOX5 (0.35) | ALDH1A1HTTMMP8MMP12MMP13 | |
| SCHEMBL6959434 | 0.78 | SPHK1 (0.36) | FKBP1A | |
| SCHEMBL6959128 | 0.78 | SPHK1 (0.36) | FKBP1A | |
| SCHEMBL8132660 | 0.78 | MMP13 (0.35) | MMP8MMP12MMP13FKBP1A | |
| SCHEMBL11602971 | 0.77 | ALDH1A1 (0.43) | ALDH1A1HTTMMP8MMP12MMP13 | |
| SCHEMBL27207871 | 0.75 | ALDH1A1 (0.48) | ALDH1A1HTTMMP8MMP12MMP13 | |
| SCHEMBL27230136 | 0.75 | ALDH1A1 (0.48) | ALDH1A1HTTMMP8MMP12MMP13 | |
| SCHEMBL7305308 | 0.75 | POLB (0.48) | ALDH1A1HTTMMP8MMP12MMP13 | |
| SCHEMBL6967183 | 0.75 | JAK2 (0.32) | ALDH1A1HTTMMP13FKBP1A | |
| SCHEMBL6958233 | 0.75 | JAK2 (0.32) | ALDH1A1HTTMMP13FKBP1A |
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 |