Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.42 |
| ▸ | ALDH1A3 | P47895 | 3/20 | 0.42 |
| ▸ | ALDH3A1 | P30838 | 2/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.40 |
| ▸ | AR | P10275 | 1/20 | 0.38 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.37 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.37 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.37 |
| ▸ | TYR | P14679 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.36 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.35 |
| ▸ | ABAT | P80404 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7284930 | 0.84 | CYP2A6 (0.46) | ALDH1A1ALDH1A3ALDH3A1CYP2A6ADRB2 | |
| SCHEMBL28935768 | 0.83 | ALDH5A1 (0.43) | ALDH1A1ALDH1A3ALDH3A1CYP2A6ADRB2 | |
| SCHEMBL28935765 | 0.81 | ALDH1A1 (0.40) | ALDH1A1ALDH1A3ALDH3A1CYP2A6ADRB2 | |
| SCHEMBL8674984 | 0.80 | CYP2A6 (0.43) | ALDH1A1ALDH1A3ALDH3A1CYP2A6ADRB2 | |
| SCHEMBL15342876 | 0.79 | AR (0.41) | ALDH1A1ARHSD17B10MAPTHPGD | |
| SCHEMBL25196222 | 0.78 | CYP2A6 (0.41) | ALDH1A1ALDH1A3ALDH3A1CYP2A6ADRB2 | |
| SCHEMBL21058261 | 0.75 | MAPT (0.50) | ALDH1A1ARHSD17B10LMNAMAPT | |
| SCHEMBL21799469 | 0.74 | MAPT (0.40) | ALDH1A1ARMAPTSMN1; SMN2 | |
| SCHEMBL21132145 | 0.74 | TSHR (0.41) | ARTYREPHX2NR1H4LMNA | |
| SCHEMBL23456270 | 0.74 | L3MBTL1 (0.47) | ARLMNASMN1; SMN2 |
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-2013068592-A1 | INHIBITORS OF CYSTATHIONINE BETA SYNTHASE TO REDUCE THE NEUROTOXIC OVERPRODUCTION OF ENDOGENOUS HYDROGEN SULFIDE | FONDATION JEROME LEJEUNE (FR) | 2013-05-16 | — | — | WO | disclosed |