Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.38 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.38 |
| ▸ | METAP2 | P50579 | 1/20 | 0.35 |
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
| ▸ | NAAA | Q02083 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | EPHX1 | P07099 | 5/20 | 0.33 |
| ▸ | REN | P00797 | 1/20 | 0.33 |
| ▸ | FDPS | P14324 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 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 | |
|---|---|---|---|---|
| SCHEMBL12504986 | 0.84 | GRM2 (0.45) | CYP1A2GRM2GRM3KMT2AEPHX1 | |
| SCHEMBL7519868 | 0.83 | CYP1A2 (0.41) | CYP1A2GRM2GRM3METAP2BCHE | |
| SCHEMBL16328206 | 0.83 | GRM2 (0.41) | CYP1A2GRM2GRM3ALDH1A1KMT2A | |
| SCHEMBL11000103 | 0.73 | CYP1A2 (0.47) | CYP1A2GRM2GRM3BCHENAAA | |
| SCHEMBL24520182 | 0.73 | GRM2 (0.49) | CYP1A2GRM2GRM3ALDH1A1KMT2A | |
| SCHEMBL10998784 | 0.72 | CYP1A2 (0.46) | CYP1A2GRM2GRM3METAP2BCHE | |
| SCHEMBL10203742 | 0.72 | CYP1A2 (0.42) | CYP1A2BCHENAAA | |
| SCHEMBL17551557 | 0.70 | CYP1A2 (0.52) | CYP1A2BCHENAAAEPHX1 | |
| SCHEMBL8266853 | 0.70 | GRM2 (0.42) | CYP1A2GRM2GRM3EPHX1 | |
| Butylcyclohexane SCHEMBL14718837 | 0.70 | CYP1A2 (0.75) | CYP1A2METAP2BCHEEPHX1 |
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-2343069-B1 | Heterocyclic aspartyl protease inhibitors | MERCK SHARP & DOHME (US) | 2016-03-02 | — | — | EP | disclosed |
| EP-1699455-B1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | MERCK SHARP & DOHME (US) | 2013-05-08 | — | — | EP | disclosed |