Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | TTR | P02766 | 1/20 | 0.37 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.36 |
| ▸ | ERN1 | O75460 | 3/20 | 0.35 |
| ▸ | XDH | P47989 | 1/20 | 0.35 |
| ▸ | ALDH5A1 | P51649 | 2/20 | 0.33 |
| ▸ | ABAT | P80404 | 2/20 | 0.33 |
| ▸ | PDXK | O00764 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL21484861 | 0.78 | KDM4E (0.46) | KDM4EPTGS2RAB9AALDH1A1AOX1 | |
| SCHEMBL116316 | 0.78 | ALDH1A1 (0.46) | ALDH1A1HSD17B10L3MBTL1TDP1 | |
| SCHEMBL29436325 | 0.78 | ALDH1A1 (0.46) | ALDH1A1HSD17B10L3MBTL1TDP1 | |
| SCHEMBL8544546 | 0.77 | CYP1A2 (0.39) | KDM4EALDH1A1ERN1HSD17B10TDP1 | |
| SCHEMBL29952839 | 0.77 | CYP1A2 (0.39) | KDM4EALDH1A1ERN1HSD17B10TDP1 | |
| SCHEMBL15653419 | 0.76 | PDXK (0.43) | KDM4EALDH1A1AOX1PDXKHSD17B10 | |
| SCHEMBL875527 | 0.75 | POLB (0.38) | ALDH1A1HSD17B10L3MBTL1TDP1 | |
| SCHEMBL7101112 | 0.75 | ALDH1A1 (0.39) | ALDH1A1CHRNB2CHRNA4 | |
| SCHEMBL15652088 | 0.75 | PIK3CD (0.43) | ALDH1A1HSD17B10L3MBTL1TDP1 | |
| SCHEMBL31672969 | 0.75 | ALDH1A1 (0.44) | KDM4EPTGS2RAB9AALDH1A1AOX1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |
| EP-0702003-B1 | Process for preparing 2-halogenpyridinaldehydes | BAYER AG (DE) | 1998-06-17 | — | — | EP | disclosed |
| US-5708180-A | CYCLIZATION OF UNSATURATED NITRILE, AMIDE OR OXIME | BAYER AKTIENGESELLSCHAFT (DE) | 1998-01-13 | — | — | US | disclosed |
| EP-0702003-A2 | Process for preparing 2-halogenpyridinaldehydes and new 2-halogenpyridinaldehydes | BAYER AG (DE) | 1996-03-20 | — | — | EP | disclosed |