Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.46 |
| ▸ | FEN1 | P39748 | 1/20 | 0.46 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | PGR | P06401 | 1/20 | 0.43 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.42 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | BRD4 | O60885 | 1/20 | 0.42 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.42 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL29798837 | 0.83 | CYP1A2 (0.55) | CYP1A2ERCC1FEN1ERCC4ALDH1A1 | |
| SCHEMBL24862267 | 0.83 | KDM4E (0.40) | CYP1A2ERCC1FEN1ERCC4ALDH1A1 | |
| SCHEMBL474339 | 0.83 | CYP1A2 (0.55) | CYP1A2ERCC1FEN1ERCC4ALDH1A1 | |
| Hydrochloric Acid SCHEMBL30293270 | 0.80 | CYP1A2 (0.53) | CYP1A2ERCC1FEN1ERCC4ALDH1A1 | |
| SCHEMBL24881908 | 0.75 | BRD4 (0.42) | ALDH1A1SMN1; SMN2LMNANPC1KMT2A | |
| SCHEMBL28595121 | 0.73 | CYP1A2 (0.47) | CYP1A2ERCC1FEN1ERCC4ALDH1A1 | |
| SCHEMBL13838140 | 0.73 | CYP1A2 (0.47) | CYP1A2ERCC1FEN1ERCC4ALDH1A1 | |
| SCHEMBL5966706 | 0.73 | CYP1A2 (0.47) | CYP1A2ERCC1FEN1ERCC4ALDH1A1 | |
| SCHEMBL5143886 | 0.73 | CYP1A2 (0.47) | CYP1A2ERCC1FEN1ERCC4ALDH1A1 | |
| SCHEMBL19117688 | 0.73 | CYP1A2 (0.47) | CYP1A2ERCC1FEN1ERCC4ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2603079-A1 | POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 | Merck Sharp & Dohme Corp. (US) | 2013-06-19 | — | — | EP | disclosed |
| WO-2012021382-A1 | POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 | MERCK SHARP & DOHME CORP. (US) | 2012-02-16 | — | — | WO | disclosed |