Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA4 | P22748 | 1/20 | 0.40 |
| ▸ | CA5A | P35218 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | CFTR | P13569 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | ALPG | P10696 | 1/20 | 0.34 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.34 |
| ▸ | NPY1R | P25929 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL181926 | 1.00 | HSP90AA1 (0.41) | HSP90AA1CA2CA4CA5AALOX15 | |
| SCHEMBL6942352 | 0.83 | ALDH1A1 (0.43) | HSP90AA1CA2CA4CA5AALOX15 | |
| SCHEMBL6942354 | 0.83 | ALDH1A1 (0.43) | HSP90AA1CA2CA4CA5AALOX15 | |
| SCHEMBL28855695 | 0.80 | HSP90AA1 (0.33) | HSP90AA1CA2CA4CA5A | |
| SCHEMBL11316981 | 0.75 | ESR1 (0.40) | CA2CA4CA5AALOX15TSHR | |
| SCHEMBL7153777 | 0.74 | TSHR (0.43) | HSP90AA1CA2CA4CA5AALOX15 | |
| SCHEMBL23805159 | 0.70 | HCAR2 (0.43) | HSP90AA1CA2CA4CA5AALOX15 | |
| SCHEMBL19305261 | 0.70 | TSHR (0.40) | HSP90AA1CA2CA4CA5AALOX15 | |
| SCHEMBL17307997 | 0.70 | HSP90AA1 (0.38) | HSP90AA1CA2CA4CA5AALOX15 | |
| SCHEMBL19305264 | 0.70 | TSHR (0.40) | HSP90AA1CA2CA4CA5AALOX15 |
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-2003093498-A1 | INHIBITION OF PROTEIN TYROSINE PHOSPHATASES AND SH2 DOMAINS BY A NEUTRAL PHOSPHOTYROSINE MIMETIC | THE OHIO STATE UNIVERSITY (US) | 2003-11-13 | — | — | WO | disclosed |