Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.79 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.79 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.79 |
| ▸ | PAM | P19021 | 1/20 | 0.56 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.52 |
| ▸ | CES2 | O00748 | 1/20 | 0.49 |
| ▸ | CES1 | P23141 | 1/20 | 0.49 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.49 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.48 |
| ▸ | LIPE | Q05469 | 1/20 | 0.48 |
| ▸ | CASP1 | P29466 | 1/20 | 0.47 |
| ▸ | MGLL | Q99685 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6784181 | 0.91 | ALDH1A1 (0.96) | ALDH1A1MAPK1L3MBTL1PAMENPP2 | |
| SCHEMBL361779 | 0.89 | ALDH1A1 (1.00) | ALDH1A1MAPK1L3MBTL1PAMENPP2 | |
| SCHEMBL27629121 | 0.87 | ALDH1A1 (0.74) | ALDH1A1MAPK1L3MBTL1PAMENPP2 | |
| SCHEMBL4673587 | 0.87 | ALDH1A1 (0.69) | ALDH1A1MAPK1L3MBTL1PAMENPP2 | |
| SCHEMBL2658640 | 0.86 | ALDH1A1 (0.79) | ALDH1A1MAPK1L3MBTL1PAMENPP2 | |
| SCHEMBL57331 | 0.86 | ALDH1A1 (0.85) | ALDH1A1MAPK1L3MBTL1PAMENPP2 | |
| SCHEMBL31245908 | 0.86 | ALDH1A1 (0.85) | ALDH1A1MAPK1L3MBTL1PAMENPP2 | |
| SCHEMBL27499661 | 0.85 | ALDH1A1 (0.92) | ALDH1A1MAPK1L3MBTL1PAMENPP2 | |
| SCHEMBL8117331 | 0.84 | ALDH1A1 (0.82) | ALDH1A1MAPK1L3MBTL1PAMENPP2 | |
| SCHEMBL6160393 | 0.83 | ALDH1A1 (0.79) | ALDH1A1MAPK1L3MBTL1PAMENPP2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1663936-B1 | BIARYLOXYMETHYLARENE-CARBOXYLIC ACIDS | HOFFMANN LA ROCHE (CH) | 2008-01-09 | — | — | EP | disclosed |
| EP-1435989-A4 | PTP1B INHIBITORS AND LIGANDS | EINSTEIN COLL MED (US) | 2006-05-03 | — | — | EP | disclosed |
| US-20040191926-A1 | Ptp1b inhibitors and ligands | NATIONAL INSTITUTES OF HEALTH | 2004-09-30 | — | — | US | disclosed |
| EP-1435989-A1 | PTP1B INHIBITORS AND LIGANDS | ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) | 2004-07-14 | — | — | EP | disclosed |
| WO-2003041729-A1 | PTP1B INHIBITORS AND LIGANDS | ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) | 2003-05-22 | — | — | WO | disclosed |