Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | SRC | P12931 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.37 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL710572 | 0.84 | CYP2D6 (0.46) | ALDH1A1CYP3A4KMT2ACYP2D6SRC | |
| SCHEMBL712324 | 0.81 | KMT2A (0.56) | ALDH1A1CYP3A4KMT2AGAAPKM | |
| SCHEMBL4213669 | 0.81 | ALDH1A1 (0.55) | ALDH1A1CYP3A4KMT2ATSHRHPGD | |
| SCHEMBL9793557 | 0.80 | KMT2A (0.46) | ALDH1A1CYP3A4KMT2ATSHRCYP2D6 | |
| SCHEMBL12175042 | 0.80 | ALDH1A1 (0.70) | ALDH1A1CYP3A4KMT2ATSHRHSD17B10 | |
| SCHEMBL12175072 | 0.80 | ALDH1A1 (0.70) | ALDH1A1CYP3A4KMT2ATSHRHSD17B10 | |
| SCHEMBL10299137 | 0.80 | ALDH1A1 (0.70) | ALDH1A1CYP3A4KMT2ATSHRHSD17B10 | |
| SCHEMBL5157376 | 0.79 | ALDH1A1 (0.64) | ALDH1A1CYP3A4KMT2ACYP1A2SMN1; SMN2 | |
| SCHEMBL1371273 | 0.79 | MMP8 (0.50) | ALDH1A1CYP3A4KMT2ATSHRHPGD | |
| SCHEMBL1129750 | 0.78 | CYP3A4 (0.49) | ALDH1A1CYP3A4KMT2ATSHRHSD17B10 |
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-5580854-A | Substrate-related peptidyl-aldehyde inhibitors of the proteolytic activity of the multicatalytic proteinase complex | MOUNT SINAI SCHOOL OF MEDICINE OF THE CITY UNIVERSITY OF NEW YORK (US) | 1996-12-03 | — | — | US | disclosed |