Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | ATM | Q13315 | 2/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | FAAH | O00519 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL3538772 | 0.81 | ALDH1A1 (0.54) | ALDH1A1ATMPKMHSD17B10KMT2A | |
| SCHEMBL29230922 | 0.81 | PKM (0.42) | ALDH1A1ATMPKMHSD17B10KMT2A | |
| SCHEMBL29231154 | 0.81 | PKM (0.51) | ALDH1A1ATMPKMHSD17B10KMT2A | |
| SCHEMBL11947615 | 0.79 | ALDH1A1 (0.72) | ALDH1A1ATMPKMHSD17B10KMT2A | |
| SCHEMBL10128618 | 0.77 | PKM (0.38) | ALDH1A1ATMPKMHSD17B10KMT2A | |
| SCHEMBL29231138 | 0.77 | HDAC6 (0.41) | ALDH1A1ATMPKMHSD17B10KMT2A | |
| SCHEMBL29820837 | 0.75 | PKM (0.49) | ALDH1A1ATMPKMHSD17B10KMT2A | |
| SCHEMBL13332455 | 0.72 | MEN1 (0.39) | ALDH1A1ATMPKMHSD17B10KMT2A | |
| SCHEMBL29196133 | 0.71 | FAAH (0.41) | ALDH1A1ATMPOLBFAAHMAPT | |
| SCHEMBL18518425 | 0.70 | ALDH1A1 (0.44) | ALDH1A1ATMKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-1993009101-A1 | MERCAPTO-AMIDE DERIVATIVES AS INHIBITORS OF THE NEUTRAL ENDOPEPTIDASE | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1993-05-13 | — | — | WO | disclosed |