Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ECE1 | P42892 | 6/20 | 0.60 |
| ▸ | MME | P08473 | 2/20 | 0.60 |
| ▸ | ACE | P12821 | 2/20 | 0.60 |
| ▸ | AKR1C3 | P42330 | 4/20 | 0.48 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.48 |
| ▸ | CCR4 | P51679 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | PKM | P14618 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7137021 | 1.00 | ECE1 (0.60) | ECE1MMEACEAKR1C3AKR1C1 | |
| SCHEMBL7137022 | 1.00 | ECE1 (0.60) | ECE1MMEACEAKR1C3AKR1C1 | |
| SCHEMBL7138796 | 0.90 | MME (0.58) | ECE1MMEACEKMT2APKM | |
| SCHEMBL7138798 | 0.90 | MME (0.58) | ECE1MMEACEKMT2APKM | |
| SCHEMBL7135704 | 0.86 | ECE1 (0.69) | ECE1MMEACEAKR1C3AKR1C1 | |
| SCHEMBL7135702 | 0.86 | ECE1 (0.69) | ECE1MMEACEAKR1C3AKR1C1 | |
| SCHEMBL7143508 | 0.84 | AKR1C3 (0.57) | ECE1MMEACEAKR1C3AKR1C1 | |
| SCHEMBL7145236 | 0.84 | AKR1C3 (0.57) | ECE1MMEACEAKR1C3AKR1C1 | |
| SCHEMBL7143498 | 0.84 | AKR1C3 (0.57) | ECE1MMEACEAKR1C3AKR1C1 | |
| SCHEMBL7135958 | 0.84 | AKR1C3 (0.57) | 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 |