Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | CASP7 | P55210 | 1/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | ADORA2B | P29275 | 5/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | GFER | P55789 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL17418888 | 0.80 | PDE4B (0.43) | ALDH1A1HSD17B10KMT2APDE4BNPC1 | |
| SCHEMBL23198637 | 0.79 | HSD17B10 (0.38) | ALDH1A1HSD17B10KMT2APDE4B | |
| SCHEMBL8627148 | 0.77 | PDE4B (0.36) | ALDH1A1HSD17B10KMT2APDE4BNPC1 | |
| SCHEMBL8918139 | 0.74 | HSD17B10 (0.38) | ALDH1A1HSD17B10KMT2ACASP1CASP7 | |
| SCHEMBL7316292 | 0.74 | NPC1 (0.63) | ALDH1A1HSD17B10NPC1LMNAHPGD | |
| SCHEMBL7328412 | 0.73 | HSD17B10 (0.53) | ALDH1A1HSD17B10KMT2APDE4BNPC1 | |
| SCHEMBL8626898 | 0.72 | TSHR (0.56) | ALDH1A1HSD17B10KMT2ACASP1CASP7 | |
| SCHEMBL32686762 | 0.71 | PDE4B (0.38) | ALDH1A1HSD17B10KMT2APDE4BNPC1 | |
| SCHEMBL8919804 | 0.71 | LMNA (0.42) | ALDH1A1HSD17B10KMT2APDE4BNPC1 | |
| SCHEMBL23198630 | 0.70 | IDO1 (0.38) | ALDH1A1HSD17B10KMT2APDE4BNPC1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5618819-A | ANALGESICS | ADIR ET COMPAGNIE (FR) | 1997-04-08 | — | — | US | disclosed |
| EP-0691339-A1 | Amine derivatives of 1,3-dihydro-2H-pyrrolo(2,3-b)pyridin-2-ones and oxazolo(4,5-b)pyridin-2(3H)-ones, their process of preparation and pharmaceutical compositions containing them | ADIR ET COMPAGNIE (FR) | 1996-01-10 | — | — | EP | disclosed |