Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GLS | O94925 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | ASAH1 | Q13510 | 1/20 | 0.39 |
| ▸ | ACER2 | Q5QJU3 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CTSK | P43235 | 5/20 | 0.38 |
| ▸ | CTSL | P07711 | 2/20 | 0.38 |
| ▸ | CTSB | P07858 | 2/20 | 0.38 |
| ▸ | CTSH | P09668 | 2/20 | 0.38 |
| ▸ | NAAA | Q02083 | 2/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL400208 | 0.81 | GLS (0.45) | GLSALDH1A1LMNA | |
| SCHEMBL3298111 | 0.81 | GLS (0.45) | GLSALDH1A1LMNA | |
| SCHEMBL1410433 | 0.72 | CA1 (0.61) | ALDH1A1CA1 | |
| SCHEMBL9572555 | 0.72 | SLC7A5 (0.40) | ALDH1A1POLBCTSKCTSLCTSB | |
| SCHEMBL28013121 | 0.72 | LMNA (0.42) | GLSALDH1A1ASAH1ACER2NAAA | |
| Oxalic Acid SCHEMBL28322171 | 0.72 | ALDH1A1 (0.43) | ALDH1A1ASAH1ACER2POLBCTSK | |
| Cyclohexane SCHEMBL28537169 | 0.72 | NPC1 (0.48) | GLSALDH1A1CTSKNPC1RAB9A | |
| SCHEMBL27702947 | 0.72 | ALDH1A1 (0.39) | ALDH1A1ASAH1ACER2POLBCTSK | |
| SCHEMBL8678482 | 0.71 | ALDH1A1 (0.45) | ALDH1A1ASAH1ACER2POLBNAAA | |
| SCHEMBL28780408 | 0.71 | ALDH1A1 (0.40) | ALDH1A1ASAH1ACER2NAAANPC1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0973936-A1 | COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC AMINOTHIOETHER ACIDS | ELI LILLY AND COMPANY (US) | 2000-01-26 | — | — | EP | disclosed |
| WO-1998046786-A1 | COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC AMINOTHIOETHER ACIDS | ELI LILLY AND COMPANY (US) | 1998-10-22 | — | — | WO | disclosed |