Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 5/20 | 0.40 |
| ▸ | CA1 | P00915 | 4/20 | 0.40 |
| ▸ | CA4 | P22748 | 1/20 | 0.40 |
| ▸ | APEX1 | P27695 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | TDO2 | P48775 | 1/20 | 0.36 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 3/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL19603049 | 0.75 | PTPRC (0.46) | CA2CA1IDH2PTPRCCNR1 | |
| SCHEMBL8514336 | 0.73 | PTGES2 (0.41) | CA2CA1CA4APEX1POLB | |
| SCHEMBL8516341 | 0.73 | CA1 (0.40) | CA2CA1CA4APEX1POLB | |
| SCHEMBL8516119 | 0.72 | RXRA (0.49) | CA2CA1CA4CYP2C19CA9 | |
| SCHEMBL19603050 | 0.70 | MAOB (0.46) | CA2CA1CA4CYP2A6KCNH2 | |
| SCHEMBL7952991 | 0.69 | APEX1 (0.67) | CA2CA1CA4APEX1POLB | |
| SCHEMBL27684579 | 0.69 | KCNH2 (0.52) | TDP1SMN1; SMN2ALDH1A1CYP2A6KCNH2 | |
| SCHEMBL7453289 | 0.68 | CYP3A4 (0.45) | POLBNPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL8514468 | 0.68 | CYP3A4 (0.43) | CA2CA1CA4APEX1POLB | |
| SCHEMBL5004411 | 0.66 | CNR1 (0.42) | CYP2A6KCNH2TDO2IDH2PTPRC |
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 |
|---|---|---|---|---|---|---|---|
| EP-2457906-A1 | Derivatives of 1,2,4-benzothiadiazine dioxide, their preparation and use as allosteric modulators of the AMPA receptor | Universita'del Salento (IT) | 2012-05-30 | — | — | EP | disclosed |