Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | APEX1 | P27695 | 1/20 | 0.31 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.31 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.31 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.30 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.30 |
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 | 0.80 | GABRA1 (0.36) | ALDH1A1TDP1LMNAMEN1KMT2A | |
| SCHEMBL20503064 | 0.80 | CYP2A6 (0.41) | ERN1ALDH1A1IMPDH2TDP1MEN1 | |
| SCHEMBL15902473 | 0.80 | ALDH1A1 (0.39) | ALDH1A1IMPDH2TDP1MEN1KMT2A | |
| SCHEMBL1229812 | 0.80 | ERN1 (0.42) | ERN1ALDH1A1MEN1KMT2APTGDR2 | |
| SCHEMBL15901985 | 0.80 | ALDH1A1 (0.36) | ALDH1A1IMPDH2TDP1MEN1KMT2A | |
| SCHEMBL15902384 | 0.77 | ERN1 (0.46) | ERN1ALDH1A1TDP1 | |
| SCHEMBL20503055 | 0.77 | RORC (0.40) | ERN1 | |
| SCHEMBL5736785 | 0.72 | ALDH1A1 (0.56) | ALDH1A1IMPDH2LMNAMEN1KMT2A | |
| SCHEMBL30234384 | 0.72 | ALDH1A1 (0.56) | ALDH1A1IMPDH2LMNAMEN1KMT2A | |
| SCHEMBL249197 | 0.72 | ALDH1A1 (0.32) | ALDH1A1IMPDH2TDP1MEN1KMT2A |
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 |