Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2636787 | 1.00 | ALDH1A1 (0.42) | ALDH1A1CASP1HSD17B10SSTR4 | |
| Hydrochloric Acid SCHEMBL7800914 | 0.99 | ALDH1A1 (0.41) | ALDH1A1CASP1HSD17B10SSTR4 | |
| SCHEMBL7448822 | 0.87 | SSTR4 (0.44) | SSTR4 | |
| SCHEMBL6057412 | 0.87 | SSTR4 (0.44) | SSTR4 | |
| SCHEMBL7800982 | 0.86 | GBA1 (0.37) | — | |
| SCHEMBL7806051 | 0.86 | ALDH1A1 (0.41) | ALDH1A1 | |
| SCHEMBL7806075 | 0.82 | HRH1 (0.40) | — | |
| SCHEMBL7800840 | 0.82 | GBA1 (0.35) | — | |
| SCHEMBL7807670 | 0.79 | SLC6A2 (0.51) | — | |
| SCHEMBL1816822 | 0.78 | ARG1 (0.42) | ALDH1A1CASP1HSD17B10 |
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-1119553-A1 | MONOMERIC AND DIMERIC HETEROCYCLES, AND THERAPEUTIC USES THEREOF | GEORGETOWN UNIVERSITY (US) | 2001-08-01 | — | — | EP | disclosed |
| WO-2000020390-A1 | MONOMERIC AND DIMERIC HETEROCYCLES, AND THERAPEUTIC USES THEREOF | GEORGETOWN UNIVERSITY (US) | 2000-04-13 | — | — | WO | disclosed |
| EP-0975595-A1 | ANALOGS OF COCAINE | GEORGETOWN UNIVERSITY (US) | 2000-02-02 | — | — | EP | disclosed |
| WO-1998045263-A1 | ANALOGS OF COCAINE | GEORGETOWN UNIVERSITY (US) | 1998-10-15 | — | — | WO | disclosed |