Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | F13A1 | P00488 | 3/20 | 0.32 |
| ▸ | GSK3A | P49840 | 1/20 | 0.32 |
| ▸ | GSK3B | P49841 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | PTPRB | P23467 | 1/20 | 0.31 |
| ▸ | CDC25A | P30304 | 1/20 | 0.31 |
| ▸ | CDC25B | P30305 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6883456 | 0.89 | HDAC3 (0.40) | FFAR1F13A1HSD17B10CYP1A2MAPT | |
| Glycine SCHEMBL6884148 | 0.83 | HDAC3 (0.36) | FFAR1NPSR1ALDH1A1F13A1HSD17B10 | |
| SCHEMBL7894436 | 0.80 | AKR1B1 (0.33) | CA2ALDH1A1HSD17B10POLBMAPT | |
| Bicarbonate SCHEMBL2496371 | 0.79 | PTPN1 (0.32) | MAPT | |
| SCHEMBL7283235 | 0.77 | KEAP1 (0.33) | KEAP1FFAR1NPSR1 | |
| SCHEMBL7413999 | 0.75 | ALDH1A1 (0.33) | KEAP1FFAR1NPSR1ALDH1A1HSD17B10 | |
| SCHEMBL11208052 | 0.73 | ALDH1A1 (0.31) | ALDH1A1CYP1A2MAPT | |
| SCHEMBL7533382 | 0.73 | — | — | |
| SCHEMBL2772489 | 0.72 | GSK3A (0.36) | GSK3AGSK3B | |
| SCHEMBL1723525 | 0.72 | EGFR (0.33) | ALDH1A1HSD17B10MAPTHTT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0014834-B1 | PROCESS FOR THE PREPARATION OF CARBON AMIDES AND OF PEPTIDES | HOECHST AKTIENGESELLSCHAFT (DE) | 1982-11-03 | — | — | EP | disclosed |
| US-4331592-A | Process for the preparation of carboxylic acid amides and peptides | HOECHST AKTIENGESELLSCHAFT (DE) | 1982-05-25 | — | — | US | disclosed |
| EP-0014834-A1 | Process for the preparation of carbon amides and of peptides | HOECHST AKTIENGESELLSCHAFT (DE) | 1980-09-03 | — | — | EP | disclosed |