Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ECE1 | P42892 | 10/20 | 0.55 |
| ▸ | MME | P08473 | 2/20 | 0.55 |
| ▸ | ACE | P12821 | 2/20 | 0.55 |
| ▸ | GPR183 | P32249 | 1/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.43 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | MCOLN3 | Q8TDD5 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | EIF2AK3 | Q9NZJ5 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7148549 | 1.00 | ECE1 (0.55) | ECE1MMEACEGPR183AKR1C3 | |
| SCHEMBL7136604 | 0.91 | ECE1 (0.59) | ECE1MMEACEAKR1C3AKR1C1 | |
| SCHEMBL7151710 | 0.91 | ECE1 (0.59) | ECE1MMEACEAKR1C3AKR1C1 | |
| SCHEMBL7137844 | 0.88 | ECE1 (0.56) | ECE1MMEACELMNAALDH1A1 | |
| SCHEMBL7137852 | 0.88 | ECE1 (0.56) | ECE1MMEACELMNAALDH1A1 | |
| SCHEMBL6977959 | 0.83 | ECE1 (0.62) | ECE1MMEACEAKR1C3AKR1C1 | |
| SCHEMBL7141433 | 0.83 | ECE1 (0.62) | ECE1MMEACEAKR1C3AKR1C1 | |
| SCHEMBL5722920 | 0.83 | ECE1 (0.58) | ECE1MMEACELMNASMN1; SMN2 | |
| SCHEMBL7148134 | 0.82 | ECE1 (0.64) | ECE1MMEACEAKR1C3AKR1C1 | |
| SCHEMBL5404147 | 0.82 | ECE1 (0.61) | ECE1MMEACEAKR1C3AKR1C1 |
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-6541638-B2 | (2S,4S)-1-(4-Mercapto-1-(naphthalene-2-sulfonyl)-pyrrolidine-2 -carbonyl)-piperidine-4-carboxylic acid ethyl ester for example; zinc protease inhibitors; for treating diseases associated with vasoconstriction | HOFFMAN-LA ROCHE INC. | 2003-04-01 | — | — | US | disclosed |