Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | IMPDH2 | P12268 | 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 | |
|---|---|---|---|---|
| SCHEMBL15902473 | 0.76 | ALDH1A1 (0.39) | ALDH1A1MEN1TSHRKMT2APOLB | |
| SCHEMBL251571 | 0.74 | HTT (0.33) | ALDH1A1KDM4EMEN1CYP1A2CYP3A4 | |
| SCHEMBL1229812 | 0.73 | ERN1 (0.42) | ALDH1A1MEN1CYP3A4KMT2A | |
| SCHEMBL20503064 | 0.73 | CYP2A6 (0.41) | ALDH1A1KDM4EMEN1KMT2APOLB | |
| SCHEMBL15901985 | 0.73 | ALDH1A1 (0.36) | ALDH1A1KDM4EMEN1TSHRKMT2A | |
| SCHEMBL15902384 | 0.72 | ERN1 (0.46) | ALDH1A1KDM4EMAPTTSHRTDP1 | |
| SCHEMBL249361 | 0.72 | ERN1 (0.33) | ALDH1A1MEN1KMT2APOLBTDP1 | |
| SCHEMBL20503055 | 0.69 | RORC (0.40) | CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL709085 | 0.68 | KMT2A (0.44) | ALDH1A1KDM4EMEN1CYP1A2CYP3A4 | |
| SCHEMBL15902268 | 0.68 | KDM4E (0.47) | ALDH1A1KDM4EMEN1KMT2AL3MBTL1 |
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 |