Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.39 |
| ▸ | KDM5A | P29375 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6208526 | 0.86 | HPGD (0.40) | ALDH1A1RAB9APOLBL3MBTL1HTT | |
| SCHEMBL27699463 | 0.79 | ALDH1A1 (0.43) | ALDH1A1SMN1; SMN2NPC1RAB9AGAA | |
| SCHEMBL6211802 | 0.78 | IDO1 (0.44) | ALDH1A1SMN1; SMN2NPC1RAB9AGAA | |
| SCHEMBL28198363 | 0.77 | ALDH1A1 (0.46) | ALDH1A1SMN1; SMN2NPC1RAB9AGAA | |
| SCHEMBL27390409 | 0.75 | KMT2A (0.50) | ALDH1A1DYRK1AGAAHTTMEN1 | |
| SCHEMBL6208983 | 0.74 | HTT (0.53) | SMN1; SMN2GAAHTTCYP1A2CYP3A4 | |
| SCHEMBL1106964 | 0.72 | HDAC1 (0.62) | ALDH1A1SMN1; SMN2NPC1RAB9AHTT | |
| SCHEMBL27699462 | 0.70 | ALDH1A1 (0.44) | ALDH1A1SMN1; SMN2NPC1RAB9AGAA | |
| SCHEMBL10014700 | 0.69 | ALDH1A1 (0.51) | ALDH1A1SMN1; SMN2NPC1RAB9AHTT | |
| SCHEMBL13041722 | 0.69 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1608662-A1 | GUANIDINE DERIVATIVES AND USE THEREOF AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS | Actelion Pharmaceuticals Ltd. (CH) | 2005-12-28 | — | — | EP | claimed |
| WO-2004083218-A1 | GUANIDINE DERIVATIVES AND USE THEREOF AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2004-09-30 | — | — | WO | claimed |
| EP-1608662-A1 | GUANIDINE DERIVATIVES AND USE THEREOF AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS | Actelion Pharmaceuticals Ltd. (CH) | 2005-12-28 | — | — | EP | disclosed |
| WO-2004083218-A1 | GUANIDINE DERIVATIVES AND USE THEREOF AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2004-09-30 | — | — | WO | disclosed |