Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 8/20 | 0.35 |
| ▸ | CA1 | P00915 | 3/20 | 0.33 |
| ▸ | CA9 | Q16790 | 3/20 | 0.33 |
| ▸ | CA12 | O43570 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CA4 | P22748 | 1/20 | 0.33 |
| ▸ | TYMS | P04818 | 1/20 | 0.32 |
| ▸ | HTR6 | P50406 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
| ▸ | FDFT1 | P37268 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | NT5E | P21589 | 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 | |
|---|---|---|---|---|
| SCHEMBL8201619 | 0.82 | HTR2A (0.44) | SMN1; SMN2HDAC1HDAC8 | |
| SCHEMBL28276274 | 0.76 | SMN1; SMN2 (0.58) | SMN1; SMN2TSHRCA2CA1CA12 | |
| SCHEMBL10683133 | 0.75 | TSHR (0.52) | SMN1; SMN2TSHRCA2CA1CA9 | |
| SCHEMBL1313179 | 0.74 | ALDH1A1 (0.41) | SMN1; SMN2TSHRPOLBCYP2D6TYMS | |
| Ammonia Solution, Strong SCHEMBL3010015 | 0.73 | TSHR (0.40) | SMN1; SMN2TSHRTYMSALDH1A1 | |
| SCHEMBL27262694 | 0.73 | TSHR (0.50) | SMN1; SMN2TSHRCA2CA1CA9 | |
| SCHEMBL8723203 | 0.73 | CA2 (0.50) | SMN1; SMN2TSHRCA2CA1CA9 | |
| SCHEMBL21111342 | 0.72 | SMN1; SMN2 (0.58) | SMN1; SMN2TSHRCA2POLBCYP2D6 | |
| SCHEMBL30446884 | 0.72 | CA2 (0.57) | SMN1; SMN2TSHRCA2CA1CA9 | |
| SCHEMBL29695439 | 0.70 | CYP3A4 (0.36) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6043398-A | WATER-SOLUBLE, SULFONATED DIPHOSPHINES COMPLEXED WITH A TRANSITION METAL TO FORM HYDROFORMYLATION CATALYSTS; OUTSTANDING SURFACE ACTIVE PROPERTIES IN TWO PHASE CATALYSIS OF TWO PHASE HYDROFORMYLATION OF OCT-1-ENE OLEFINS | CELANESE INTERNATIONAL CORPORATION (US) | 2000-03-28 | — | — | US | disclosed |
| EP-0898573-A1 | ARYL DIPHOSPHINES AND CATALYSTS CONTAINING THE SAME | Hoechst Celanese Corporation (US) | 1999-03-03 | — | — | EP | disclosed |
| WO-1997039005-A1 | ARYL DIPHOSPHINES AND CATALYSTS CONTAINING THE SAME | HOECHST CELANESE CORPORATION (US) | 1997-10-23 | — | — | WO | disclosed |