Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | METAP2 | P50579 | 1/20 | 0.35 |
| ▸ | REN | P00797 | 4/20 | 0.33 |
| ▸ | BCHE | P06276 | 1/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL8266239 | 0.81 | METAP2 (0.30) | METAP2 | |
| SCHEMBL15871759 | 0.81 | ALDH1A1 (0.35) | METAP2RENBCHEALDH1A1 | |
| SCHEMBL12593191 | 0.80 | SIGMAR1 (0.37) | METAP2BCHESIGMAR1ALDH1A1NPC1 | |
| SCHEMBL7514151 | 0.80 | SIGMAR1 (0.37) | METAP2BCHESIGMAR1ALDH1A1NPC1 | |
| SCHEMBL7519673 | 0.72 | ALDH1A1 (0.39) | SIGMAR1ALDH1A1 | |
| SCHEMBL7519834 | 0.68 | ALDH1A1 (0.40) | SIGMAR1ALDH1A1 | |
| SCHEMBL7519855 | 0.68 | GRM2 (0.41) | ALDH1A1 | |
| Hydrochloric Acid SCHEMBL10421626 | 0.67 | ALDH1A1 (0.39) | SIGMAR1ALDH1A1 | |
| SCHEMBL7514097 | 0.67 | NPC1 (0.44) | BCHESIGMAR1ALDH1A1NPC1RAB9A | |
| SCHEMBL7519868 | 0.65 | CYP1A2 (0.41) | METAP2RENBCHEALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1699455-B1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | MERCK SHARP & DOHME (US) | 2013-05-08 | — | — | EP | disclosed |