Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.59 |
| ▸ | NPC1 | O15118 | 6/20 | 0.58 |
| ▸ | RAB9A | P51151 | 6/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.58 |
| ▸ | FLT3 | P36888 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | THRB | P10828 | 1/20 | 0.55 |
| ▸ | MEN1 | O00255 | 3/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.54 |
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.50 |
| ▸ | TP53 | P04637 | 4/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.50 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.50 |
| ▸ | RELA | Q04206 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 3/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL5163106 | 0.84 | ALDH1A1 (0.62) | ALDH1A1NPC1RAB9AL3MBTL1FLT3 | |
| SCHEMBL7030373 | 0.82 | FLT3 (0.65) | ALDH1A1NPC1RAB9AL3MBTL1FLT3 | |
| SCHEMBL6590654 | 0.81 | ALDH1A1 (0.58) | ALDH1A1NPC1RAB9AL3MBTL1FLT3 | |
| SCHEMBL30905629 | 0.80 | FLT3 (0.61) | ALDH1A1NPC1RAB9AL3MBTL1FLT3 | |
| SCHEMBL5161483 | 0.79 | TAS1R3 (0.59) | ALDH1A1NPC1RAB9AL3MBTL1FLT3 | |
| SCHEMBL30905600 | 0.78 | ALDH1A1 (0.62) | ALDH1A1NPC1RAB9AL3MBTL1FLT3 | |
| SCHEMBL30457810 | 0.78 | ALDH1A1 (0.62) | ALDH1A1NPC1RAB9AL3MBTL1FLT3 | |
| SCHEMBL5162803 | 0.77 | HDAC3 (0.48) | ALDH1A1NPC1RAB9AL3MBTL1FLT3 | |
| Hydrochloric Acid SCHEMBL30905611 | 0.77 | ALDH1A1 (0.61) | ALDH1A1NPC1RAB9AL3MBTL1FLT3 | |
| SCHEMBL6655445 | 0.77 | FLT3 (0.57) | ALDH1A1NPC1RAB9AL3MBTL1FLT3 |
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-1340746-B1 | Process for the reduction of 3-heteroaryl-3-oxo-propanoic acid derivatives | SALTIGO GMBH (DE) | 2007-02-28 | — | — | EP | disclosed |
| EP-1340746-A1 | Process for the reduction of 3-heteroaryl-3-oxo-propanoic acid derivatives | BAYER AG (DE) | 2003-09-03 | — | — | EP | disclosed |