Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.47 |
| ▸ | PLAU | P00749 | 2/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | F12 | P00748 | 1/20 | 0.43 |
| ▸ | NCF1 | P14598 | 1/20 | 0.43 |
| ▸ | NOS3 | P29474 | 1/20 | 0.43 |
| ▸ | NOS1 | P29475 | 1/20 | 0.43 |
| ▸ | NOS2 | P35228 | 1/20 | 0.43 |
| ▸ | BACE1 | P56817 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | ACACB | O00763 | 1/20 | 0.41 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.38 |
| ▸ | SSTR1 | P30872 | 1/20 | 0.38 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.38 |
| ▸ | GRM4 | Q14833 | 2/20 | 0.37 |
| ▸ | PLG | P00747 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5218079 | 0.80 | TRPA1 (0.44) | TRPA1PLAUCYP2A6F12NCF1 | |
| SCHEMBL11614160 | 0.78 | NR2E1 (0.61) | TRPA1PLAUF12NCF1NOS3 | |
| SCHEMBL28034129 | 0.77 | CYP1A2 (0.36) | TRPA1PLAULMNAHSD17B10ALDH1A1 | |
| SCHEMBL3632307 | 0.77 | PLAU (0.47) | TRPA1PLAUCYP2A6F12NCF1 | |
| SCHEMBL29868570 | 0.77 | CYP2A6 (0.52) | TRPA1PLAUCYP2A6F12NCF1 | |
| SCHEMBL5656365 | 0.77 | PLAU (0.52) | TRPA1PLAUCYP2A6F12NCF1 | |
| SCHEMBL4268270 | 0.77 | CYP2A6 (0.52) | TRPA1PLAUCYP2A6F12NCF1 | |
| SCHEMBL28958132 | 0.76 | TRPA1 (0.47) | TRPA1PLAUCYP2A6F12NCF1 | |
| SCHEMBL28958129 | 0.76 | TRPA1 (0.47) | TRPA1PLAUCYP2A6F12NCF1 | |
| SCHEMBL13954037 | 0.76 | TRPA1 (0.53) | TRPA1PLAUCYP2A6F12NCF1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104918941-A | Hepatitis c virus inhibitors | BRISTOL MYERS SQUIBB CO | 2015-09-16 | — | — | CN | disclosed |