Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.38 |
| ▸ | ACACB | O00763 | 1/20 | 0.36 |
| ▸ | GRN | P28799 | 1/20 | 0.35 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4535426 | 0.90 | CYP1A2 (0.40) | CYP1A2CYP2C9HIF1AALDH1A1GRN | |
| SCHEMBL4518618 | 0.84 | KDM4E (0.48) | CYP1A2CYP2C9HIF1AALDH1A1RECQL | |
| SCHEMBL4508499 | 0.79 | ALDH1A1 (0.60) | CYP1A2CYP2C9HIF1AALDH1A1RECQL | |
| SCHEMBL4705073 | 0.75 | ALDH1A1 (0.43) | ALDH1A1RECQLKDM4ESMN1; SMN2NPSR1 | |
| SCHEMBL5036128 | 0.74 | ALDH1A1 (0.42) | ALDH1A1RECQLKDM4ESMN1; SMN2NPSR1 | |
| SCHEMBL4063606 | 0.73 | MEN1 (0.44) | ALDH1A1RECQLMEN1KMT2A | |
| SCHEMBL589165 | 0.73 | ALDH1A1 (0.47) | ALDH1A1RECQLKDM4EACACBSMN1; SMN2 | |
| SCHEMBL7975808 | 0.72 | ALDH1A1 (0.47) | ALDH1A1RECQLACACBSMN1; SMN2LMNA | |
| SCHEMBL6295222 | 0.72 | ALDH1A1 (0.46) | CYP1A2CYP2C9ALDH1A1RECQLSMN1; SMN2 | |
| SCHEMBL5779132 | 0.71 | POLB (0.37) | CYP1A2ALDH1A1SMN1; SMN2RAB9ALMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-7626022-B2 | Racemic mixtures; oxidation; cyclization; crystallization | CHIRACON GMBH (DE) | 2009-12-01 | — | — | US | claimed |
| US-7626022-B2 | Racemic mixtures; oxidation; cyclization; crystallization | CHIRACON GMBH (DE) | 2009-12-01 | — | — | US | disclosed |