Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 11/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 9/20 | 0.53 |
| ▸ | CFTR | P13569 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 3/20 | 0.51 |
| ▸ | RAB9A | P51151 | 3/20 | 0.51 |
| ▸ | HPGD | P15428 | 3/20 | 0.51 |
| ▸ | NPC1 | O15118 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | GLA | P06280 | 2/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.50 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL9541533 | 0.77 | ALDH1A1 (0.62) | ALDH1A1HSD17B10CFTRTSHRRAB9A | |
| SCHEMBL7461130 | 0.73 | ALDH1A1 (0.69) | ALDH1A1HSD17B10CFTRTSHRRAB9A | |
| SCHEMBL2367627 | 0.73 | ALDH1A1 (0.69) | ALDH1A1HSD17B10CFTRTSHRRAB9A | |
| Methyl Anthranilate SCHEMBL28144115 | 0.72 | ALDH1A1 (0.96) | ALDH1A1HSD17B10CFTRTSHRRAB9A | |
| SCHEMBL1805376 | 0.72 | ALDH1A1 (0.80) | ALDH1A1HSD17B10CFTRTSHRRAB9A | |
| SCHEMBL28056289 | 0.72 | ALDH1A1 (0.62) | ALDH1A1HSD17B10CFTRTSHRRAB9A | |
| SCHEMBL30094641 | 0.72 | ALDH1A1 (0.72) | ALDH1A1HSD17B10CFTRTSHRRAB9A | |
| SCHEMBL3197843 | 0.72 | ALDH1A1 (0.72) | ALDH1A1HSD17B10CFTRTSHRRAB9A | |
| Ethyl Anthranilate SCHEMBL7560547 | 0.71 | ALDH1A1 (0.96) | ALDH1A1HSD17B10CFTRTSHRRAB9A | |
| SCHEMBL4297130 | 0.71 | ALDH1A1 (0.67) | ALDH1A1HSD17B10CFTRTSHRRAB9A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040077037-A1 | Regiospecific modification of peptides and proteins with probes and reporter molecules using peptidases in combination with a non-amino acid- like or non-peptide-like substrate mimetic | ROCHE DIAGNOSTICS OPERATIONS, INC. | 2004-04-22 | — | — | US | disclosed |