Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| SCHEMBL2321648 | 0.82 | TRPA1 (0.34) | TRPA1THRBALDH1A1ALOX15 | |
| SCHEMBL29644449 | 0.79 | ALDH1A1 (0.39) | TRPA1ALDH1A1ALOX15 | |
| SCHEMBL20446669 | 0.79 | ALDH1A1 (0.39) | TRPA1ALDH1A1ALOX15 | |
| SCHEMBL819343 | 0.79 | THRB (0.48) | THRB | |
| SCHEMBL21394 | 0.79 | ALDH1A1 (0.39) | TRPA1ALDH1A1ALOX15 | |
| SCHEMBL5310501 | 0.79 | ALDH1A1 (0.39) | TRPA1ALDH1A1ALOX15 | |
| SCHEMBL19493225 | 0.77 | THRB (0.52) | TRPA1THRBALDH1A1ALOX15 | |
| Hydrochloric Acid SCHEMBL8820910 | 0.77 | ALDH1A1 (0.38) | TRPA1ALDH1A1ALOX15 | |
| SCHEMBL27982478 | 0.77 | ALDH1A1 (0.38) | TRPA1ALDH1A1ALOX15 | |
| SCHEMBL13071622 | 0.75 | TSHR (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20170342189-A1 | SELF-REPAIRING POLYURETHANE RESIN MATERIAL, SELF-REPAIRING POLYURETHANE RESIN, SELF-REPAIRING COATING MATERIAL, SELF-REPAIRING ELASTOMER MATERIAL, METHOD FOR PRODUCING SELF-REPAIRING POLYURETHANE RESIN MATERIAL, AND METHOD FOR PRODUCING SELF-REPAIRING POLYURETHANE RESIN | MITSUI CHEMICALS, INC. (JP) | 2017-11-30 | — | — | US | disclosed |