Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | TGM2 | P21980 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CCR6 | P51684 | 1/20 | 0.41 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.41 |
| ▸ | F13A1 | P00488 | 1/20 | 0.41 |
| ▸ | TGM1 | P22735 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6236855 | 0.85 | ALDH1A1 (0.46) | ALDH1A1MAPK1L3MBTL1TGM2CCR6 | |
| SCHEMBL10494016 | 0.85 | HCAR2 (0.47) | ALDH1A1HCAR2KMT2AKDM4E | |
| SCHEMBL10382170 | 0.81 | ABCB1 (0.46) | ABCB1ALDH1A1MAPK1L3MBTL1TGM2 | |
| SCHEMBL8473781 | 0.80 | L3MBTL1 (0.46) | ALDH1A1MAPK1L3MBTL1SMN1; SMN2LMNA | |
| SCHEMBL13675129 | 0.80 | ALDH1A1 (0.47) | ALDH1A1MAPK1L3MBTL1TGM2SMN1; SMN2 | |
| SCHEMBL16207467 | 0.80 | ABCB1 (0.50) | ABCB1ALDH1A1MAPK1L3MBTL1SMN1; SMN2 | |
| SCHEMBL25461074 | 0.80 | ABCB1 (0.55) | ABCB1ALDH1A1MAPK1L3MBTL1TGM2 | |
| SCHEMBL5069687 | 0.77 | ALDH1A1 (0.50) | ABCB1ALDH1A1MAPK1L3MBTL1SMN1; SMN2 | |
| SCHEMBL19189188 | 0.77 | CCR6 (0.49) | ABCB1ALDH1A1MAPK1L3MBTL1CCR6 | |
| SCHEMBL13603924 | 0.75 | ALDH1A1 (0.51) | ABCB1ALDH1A1MAPK1L3MBTL1LMNA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0238245-B1 | 3-HALOVINYLGLYCINE ANTIBACTERIAL AGENTS | MERCK & CO. INC. (US) | 1990-06-20 | — | — | EP | disclosed |
| US-4806680-A | REACTING IN N-PROTECTED VINYLGLYCINE ESTER WITH ARYLSELENENYL HALIDE, OXIDATION THE ADDUCT, HEATING IN MINERAL ACID | MERCK & CO., INC. (US) | 1989-02-21 | — | — | US | disclosed |
| US-4727062-A | INHIBITORS OF ALANINE RACEMASE | MERCK & CO., INC. (US) | 1988-02-23 | — | — | US | disclosed |
| EP-0238245-A1 | 3-Halovinylglycine antibacterial agents | MERCK & CO. INC. (US) | 1987-09-23 | — | — | EP | disclosed |