Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.38 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
| ▸ | ADRA2B | P18089 | 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 | |
|---|---|---|---|---|
| SCHEMBL7944047 | 0.96 | ALDH1A1 (0.37) | ALDH1A1LMNASMN1; SMN2CYP1A2CYP3A4 | |
| Water SCHEMBL7944376 | 0.85 | TAAR1 (0.41) | ALDH1A1LMNASMN1; SMN2CYP1A2CYP3A4 | |
| SCHEMBL7957425 | 0.81 | ALDH1A1 (0.53) | ALDH1A1LMNASMN1; SMN2CYP1A2CYP3A4 | |
| SCHEMBL7951206 | 0.80 | CYP1A2 (0.44) | ALDH1A1LMNASMN1; SMN2CYP1A2CYP3A4 | |
| SCHEMBL8626608 | 0.80 | KDM6B (0.41) | ALDH1A1LMNASMN1; SMN2CYP3A4CYP2D6 | |
| SCHEMBL7944400 | 0.79 | KDM4E (0.45) | ALDH1A1LMNASMN1; SMN2CYP1A2CYP3A4 | |
| SCHEMBL7944017 | 0.78 | CA12 (0.40) | ALDH1A1LMNASMN1; SMN2CYP1A2CYP3A4 | |
| SCHEMBL7944042 | 0.78 | ALDH1A1 (0.39) | ALDH1A1LMNASMN1; SMN2CYP1A2CYP3A4 | |
| SCHEMBL7953166 | 0.78 | TAAR1 (0.43) | ALDH1A1LMNASMN1; SMN2CYP1A2CYP3A4 | |
| Water SCHEMBL7951330 | 0.78 | KDM4E (0.44) | ALDH1A1LMNASMN1; SMN2CYP1A2CYP3A4 |
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-6242443-B1 | 1,2,4-benzothiadiazine derivatives, their preparation and use | NOVO NORDISK AIS (DK) | 2001-06-05 | — | — | US | disclosed |