Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSR | P00390 | 1/20 | 0.50 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | F2 | P00734 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 2/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.32 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2163543 | 1.00 | GSR (0.50) | GSRTRPA1TSHRPTGS1PTGS2 | |
| SCHEMBL9838307 | 0.74 | GSR (0.58) | GSRPTGS1PTGS2ALDH1A1LMNA | |
| SCHEMBL21114422 | 0.73 | TSHR (0.50) | TRPA1TSHRALDH1A1LMNAHPGD | |
| SCHEMBL3968014 | 0.73 | TSHR (0.50) | TRPA1TSHRALDH1A1LMNAHPGD | |
| SCHEMBL27539710 | 0.71 | TSHR (0.48) | TRPA1TSHRALDH1A1LMNAHPGD | |
| SCHEMBL2162532 | 0.71 | TSHR (0.48) | TRPA1TSHRALDH1A1LMNAHPGD | |
| SCHEMBL181040 | 0.71 | TRPA1 (0.43) | GSRTRPA1TSHRALDH1A1LMNA | |
| SCHEMBL1129880 | 0.71 | TRPA1 (0.43) | TRPA1TSHRALDH1A1LMNAHPGD | |
| SCHEMBL10403262 | 0.71 | GSR (0.55) | GSRPTGS1PTGS2ALDH1A1LMNA | |
| SCHEMBL26614000 | 0.71 | GSR (0.59) | GSRPTGS1PTGS2ALDH1A1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| CN-100445375-C | Modified nitrilases and their use in methods for the production of carboxylic acids | BASF AG (DE) | 2008-12-24 | — | — | CN | disclosed |
| CN-1753990-A | Modified nitrilases and their use in methods for the production of carboxylic acids | BASF AG (DE) | 2006-03-29 | — | — | CN | disclosed |