Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.58 |
| ▸ | GAA | P10253 | 1/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | VCP | P55072 | 3/20 | 0.44 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL7361848 | 0.90 | TSHR (0.60) | ALDH1A1GAASMN1; SMN2NPC1RAB9A | |
| SCHEMBL5192743 | 0.86 | ALDH1A1 (0.52) | ALDH1A1NPC1RAB9AMAPK1L3MBTL1 | |
| SCHEMBL1137165 | 0.86 | ALDH1A1 (0.59) | ALDH1A1GAASMN1; SMN2NPC1RAB9A | |
| SCHEMBL1137166 | 0.86 | ALDH1A1 (0.59) | ALDH1A1GAASMN1; SMN2NPC1RAB9A | |
| SCHEMBL594857 | 0.82 | ALDH1A1 (0.67) | ALDH1A1GAASMN1; SMN2NPC1RAB9A | |
| SCHEMBL594858 | 0.82 | ALDH1A1 (0.67) | ALDH1A1GAASMN1; SMN2NPC1RAB9A | |
| SCHEMBL4654803 | 0.81 | ALDH1A1 (0.65) | ALDH1A1GAASMN1; SMN2NPC1RAB9A | |
| SCHEMBL7695939 | 0.79 | ALDH1A1 (0.66) | ALDH1A1SMN1; SMN2MAPK1L3MBTL1GLA | |
| SCHEMBL11217670 | 0.78 | CXCR4 (0.56) | ALDH1A1GAANPC1RAB9AL3MBTL1 | |
| SCHEMBL11217673 | 0.78 | CXCR4 (0.56) | ALDH1A1GAANPC1RAB9AL3MBTL1 |
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 |