Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | TEAD2 | Q15562 | 3/20 | 0.37 |
| ▸ | TEAD1 | P28347 | 2/20 | 0.37 |
| ▸ | TEAD4 | Q15561 | 2/20 | 0.37 |
| ▸ | TEAD3 | Q99594 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | PIP5K1C | O60331 | 2/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.33 |
| ▸ | PIP5K1B | O14986 | 1/20 | 0.33 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.33 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.33 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.33 |
| ▸ | PIP5K1A | Q99755 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | GFER | P55789 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 3/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 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 | |
|---|---|---|---|---|
| SCHEMBL12190 | 0.85 | TEAD1 (0.41) | TEAD2TEAD1TEAD4TEAD3POLB | |
| SCHEMBL14609 | 0.80 | ALDH1A1 (0.49) | ALDH1A1TEAD2TEAD1TEAD4TEAD3 | |
| SCHEMBL22271628 | 0.79 | ALDH1A1 (0.47) | ALDH1A1TEAD2TEAD1TEAD4TEAD3 | |
| SCHEMBL24426777 | 0.77 | ALDH1A1 (0.49) | ALDH1A1TEAD2TEAD1TEAD4TEAD3 | |
| SCHEMBL22781478 | 0.77 | ALDH1A1 (0.49) | ALDH1A1TEAD2TEAD1TEAD4TEAD3 | |
| SCHEMBL14673 | 0.74 | TEAD1 (0.41) | TEAD2TEAD1TEAD4TEAD3POLB | |
| SCHEMBL14835 | 0.74 | TEAD1 (0.41) | TEAD2TEAD1TEAD4TEAD3POLB | |
| SCHEMBL17805439 | 0.73 | ADORA3 (0.42) | IDH1 | |
| SCHEMBL14661 | 0.71 | ALDH1A1 (0.40) | ALDH1A1TEAD2TEAD1TEAD4TEAD3 | |
| SCHEMBL30887532 | 0.70 | ALDH1A1 (0.65) | ALDH1A1POLBSMN1; SMN2GFERLMNA |
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-2011043954-A1 | NOVEL TRPA1 ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2011-04-14 | — | — | WO | disclosed |