Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | VCP | P55072 | 4/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7361058 | 0.90 | ALDH1A1 (0.58) | TSHRSMN1; SMN2CYP2C19ALDH1A1GAA | |
| SCHEMBL5192743 | 0.84 | ALDH1A1 (0.52) | TSHRALDH1A1MAPK1L3MBTL1NPC1 | |
| SCHEMBL7418209 | 0.83 | TSHR (0.68) | TSHRSMN1; SMN2CYP2C19ALDH1A1GAA | |
| SCHEMBL21678978 | 0.78 | TSHR (0.68) | TSHRSMN1; SMN2CYP2C19ALDH1A1GAA | |
| SCHEMBL7695939 | 0.77 | ALDH1A1 (0.66) | SMN1; SMN2ALDH1A1MAPK1L3MBTL1CA1 | |
| SCHEMBL26331487 | 0.76 | ALDH1A1 (0.56) | ALDH1A1MAPK1L3MBTL1CA1CA2 | |
| SCHEMBL4143101 | 0.76 | ALDH1A1 (0.59) | TSHRSMN1; SMN2CYP2C19ALDH1A1GAA | |
| Hydrochloric Acid SCHEMBL8053510 | 0.75 | ALDH1A1 (0.63) | SMN1; SMN2ALDH1A1MAPK1L3MBTL1CA1 | |
| SCHEMBL1137165 | 0.75 | ALDH1A1 (0.59) | TSHRSMN1; SMN2CYP2C19ALDH1A1GAA | |
| SCHEMBL16398138 | 0.75 | TSHR (0.57) | TSHRSMN1; SMN2CYP2C19GAANPC1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2000063170-A1 | CYCLOBUTENE-3,4-DIONE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASE 5 | SANOFI-SYNTHELABO (FR) | 2000-10-26 | — | — | WO | disclosed |
| WO-2000063160-A1 | 2-ALKOXY-CYCLOBUTENE-3,4-DIONE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF | SANOFI-SYNTHELABO (FR) | 2000-10-26 | — | — | WO | disclosed |