Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 8/20 | 0.35 |
| ▸ | MEN1 | O00255 | 7/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL250231 | 0.72 | GABRA1 (0.36) | HTTALDH1A1SMN1; SMN2GABRA1GABRB2 | |
| SCHEMBL3083235 | 0.69 | GABRA1 (0.50) | ALDH1A1GABRA1GABRB2KMT2AMEN1 | |
| SCHEMBL8791921 | 0.69 | GABRA1 (0.43) | ALDH1A1GABRA1GABRB2KMT2AMEN1 | |
| SCHEMBL166586 | 0.66 | GABRA1 (0.52) | ALDH1A1GABRA1GABRB2KMT2AMEN1 | |
| Acetic Acid SCHEMBL27930745 | 0.65 | GABRA1 (0.43) | HTTALDH1A1SMN1; SMN2GABRA1GABRB2 | |
| SCHEMBL13265468 | 0.64 | GABRA1 (0.44) | HTTALDH1A1SMN1; SMN2GABRA1GABRB2 | |
| Acetic Acid SCHEMBL9771555 | 0.64 | GABRA1 (0.63) | HTTALDH1A1SMN1; SMN2GABRA1GABRB2 | |
| SCHEMBL7369721 | 0.63 | MRGPRX4 (0.45) | HTTALDH1A1SMN1; SMN2GABRA1GABRB2 | |
| SCHEMBL5226691 | 0.62 | ALDH1A1 (0.57) | ALDH1A1GABRA1GABRB2KMT2AMEN1 | |
| SCHEMBL10961297 | 0.62 | AKR1C3 (0.46) | ALDH1A1SMN1; SMN2GABRA1GABRB2KMT2A |
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 |