Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MME | P08473 | 2/20 | 0.55 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | NAALAD2 | Q9Y3Q0 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | ACE | P12821 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | MMP2 | P08253 | 4/20 | 0.48 |
| ▸ | MMP9 | P14780 | 3/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.48 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL6769407 | 0.87 | FOLH1 (0.51) | MMENAALAD2ACEL3MBTL1FOLH1 | |
| SCHEMBL3506385 | 0.86 | MME (0.58) | MMENPSR1NAALAD2CYP1A2ACE | |
| SCHEMBL3506387 | 0.86 | MME (0.58) | MMENPSR1NAALAD2CYP1A2ACE | |
| SCHEMBL7379335 | 0.85 | MME (0.70) | MMENPSR1NAALAD2CYP1A2ACE | |
| SCHEMBL9068541 | 0.85 | MME (0.70) | MMENPSR1NAALAD2CYP1A2ACE | |
| SCHEMBL29253264 | 0.84 | MME (0.41) | MMEACEL3MBTL1FOLH1 | |
| SCHEMBL29253180 | 0.81 | NOS3 (0.41) | MMEACEL3MBTL1FOLH1 | |
| SCHEMBL8697148 | 0.80 | MME (0.52) | MMENPSR1NAALAD2CYP1A2L3MBTL1 | |
| SCHEMBL29253336 | 0.79 | ALDH1A1 (0.45) | ALDH1A1L3MBTL1 | |
| SCHEMBL6691765 | 0.79 | MME (0.51) | MMENPSR1NAALAD2CYP1A2ACE |
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 |
|---|---|---|---|---|---|---|---|
| US-6794492-B2 | N-(2,2,2-TRIFLUOROETHYL)GLYCINE DERIVATIVES; CAN BE USED TO PREPARE LIPOPHILIC PROTEINS ADAPTED FOR CROSSING THE BLOOD BRAIN BARRIER | CLEMSON UNIVERSITY | 2004-09-21 | — | — | US | claimed |