Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.58 |
| ▸ | LTA4H | P09960 | 1/20 | 0.52 |
| ▸ | LAP3 | P28838 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.52 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | CTSL | P07711 | 1/20 | 0.49 |
| ▸ | CTSS | P25774 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | CTSB | P07858 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL21843047 | 1.00 | ALDH1A1 (0.58) | ALDH1A1LTA4HLAP3TDP1MAPK1 | |
| SCHEMBL11821568 | 0.89 | ALDH1A1 (0.58) | ALDH1A1LTA4HLAP3TDP1MAPK1 | |
| SCHEMBL329135 | 0.89 | ALDH1A1 (0.58) | ALDH1A1LTA4HLAP3TDP1MAPK1 | |
| SCHEMBL3913952 | 0.89 | ALDH1A1 (0.58) | ALDH1A1LTA4HLAP3TDP1MAPK1 | |
| SCHEMBL6575848 | 0.88 | ALDH1A1 (0.61) | ALDH1A1LTA4HLAP3TDP1MAPK1 | |
| SCHEMBL1600361 | 0.88 | ALDH1A1 (0.61) | ALDH1A1LTA4HLAP3TDP1MAPK1 | |
| SCHEMBL366832 | 0.88 | ALDH1A1 (0.61) | ALDH1A1LTA4HLAP3TDP1MAPK1 | |
| SCHEMBL14066236 | 0.88 | ALDH1A1 (0.61) | ALDH1A1LTA4HLAP3TDP1MAPK1 | |
| SCHEMBL23342972 | 0.86 | ALDH1A1 (0.55) | ALDH1A1LTA4HLAP3TDP1MAPK1 | |
| SCHEMBL12746764 | 0.86 | ALDH1A1 (0.55) | ALDH1A1LTA4HLAP3TDP1MAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015195563-A1 | ANTIBACTERIAL AGENTS | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2015-12-23 | — | — | WO | disclosed |