Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNFRSF1A | P19438 | 2/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | EGFR | P00533 | 1/20 | 0.30 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5694508 | 0.78 | PTGS2 (0.44) | TNFRSF1APTGS2PTGS1ALDH1A1TSHR | |
| SCHEMBL13526976 | 0.78 | TNFRSF1A (0.35) | TNFRSF1APTGS2PTGS1ALDH1A1TSHR | |
| SCHEMBL20021636 | 0.78 | TNFRSF1A (0.35) | TNFRSF1APTGS2PTGS1ALDH1A1TSHR | |
| Hydrochloric Acid SCHEMBL29272672 | 0.76 | PTGS2 (0.43) | TNFRSF1APTGS2PTGS1ALDH1A1TSHR | |
| SCHEMBL1305156 | 0.76 | PTGS2 (0.43) | TNFRSF1APTGS2PTGS1ALDH1A1TSHR | |
| SCHEMBL11743999 | 0.68 | PTGS2 (0.46) | TNFRSF1APTGS2PTGS1ALDH1A1TSHR | |
| SCHEMBL16957908 | 0.68 | CA2 (0.41) | TNFRSF1APTGS2ALDH1A1TSHRTDP1 | |
| SCHEMBL28192249 | 0.68 | PTGS2 (0.42) | TNFRSF1APTGS2PTGS1ALDH1A1TSHR | |
| SCHEMBL30885080 | 0.68 | PTGS2 (0.42) | TNFRSF1APTGS2PTGS1ALDH1A1TSHR | |
| Naphthalene SCHEMBL28330868 | 0.67 | TNFRSF1A (0.47) | TNFRSF1APTGS2PTGS1ALDH1A1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-2215101-A1 | CATIONIC TRANSITION METAL CATALYSTS | Kanata Chemical Technologies Inc. (CA) | 2010-08-11 | — | — | EP | disclosed |
| WO-2009055912-A1 | CATIONIC TRANSITION METAL CATALYSTS | KANATA CHEMICAL TECHNOLOGIES INC. (CA) | 2009-05-07 | — | — | WO | disclosed |