Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | CNR1 | P21554 | 2/20 | 0.34 |
| ▸ | CNR2 | P34972 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.34 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 3/20 | 0.34 |
| ▸ | POLB | P06746 | 3/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | APEX1 | P27695 | 1/20 | 0.33 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL249020 | 0.78 | HTT (0.37) | HTTSMN1; SMN2ALDH1A1MEN1KMT2A | |
| SCHEMBL251571 | 0.75 | HTT (0.33) | HTTSMN1; SMN2ALDH1A1MEN1KMT2A | |
| SCHEMBL28246281 | 0.68 | ALDH1A1 (0.35) | HTTCNR2ALDH1A1MEN1KMT2A | |
| SCHEMBL249819 | 0.67 | ALDH1A1 (0.33) | CNR1CNR2ALDH1A1MEN1KMT2A | |
| SCHEMBL16009974 | 0.65 | POLB (0.48) | HTTCNR1CNR2ALDH1A1MEN1 | |
| SCHEMBL28492551 | 0.63 | KMT2A (0.39) | HTTSMN1; SMN2CNR1CNR2ALDH1A1 | |
| SCHEMBL6902686 | 0.62 | ALDH1A1 (0.48) | ALDH1A1MEN1KMT2ALMNATHRB | |
| SCHEMBL28360523 | 0.62 | ALDH1A1 (0.43) | ALDH1A1MEN1KMT2ALMNANPSR1 | |
| SCHEMBL9089305 | 0.62 | CNR2 (0.54) | HTTCNR1CNR2ALDH1A1MEN1 | |
| SCHEMBL22541883 | 0.61 | MEN1 (0.35) | HTTMEN1KMT2AL3MBTL1 |
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-2012001308-A9 | METHOD FOR SYNTHESIZING ERGOLINE ALKALOIDS FROM INDOLIC BICYCLIC COMPOUNDS BY DOUBLE CYCLIZATION, RESULTING MATERIALS, AND INTERMEDIATE MATERIALS | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2012-03-22 | — | — | WO | disclosed |
| WO-2012001308-A1 | METHOD FOR SYNTHESIZING ERGOLINE ALKALOIDS FROM INDOLIC BICYCLIC COMPOUNDS BY DOUBLE CYCLIZATION, RESULTING MATERIALS, AND INTERMEDIATE MATERIALS | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2012-01-05 | — | — | WO | disclosed |