Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MRGPRX1 | Q96LB2 | 4/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | TSPO | P30536 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.38 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL19976976 | 0.91 | KMT2A (0.56) | MRGPRX1KMT2AMEN1TSPOALDH1A1 | |
| SCHEMBL19976930 | 0.88 | ALDH1A1 (0.55) | KMT2AMEN1ALDH1A1POLBGAA | |
| SCHEMBL16994053 | 0.85 | PSMB5 (0.49) | MRGPRX1ALDH1A1POLBNPSR1 | |
| SCHEMBL19976919 | 0.84 | LMNA (0.47) | KMT2AMEN1ALDH1A1GAAMAPT | |
| SCHEMBL19977009 | 0.78 | KMT2A (0.53) | KMT2AMEN1ALDH1A1POLBMAPT | |
| SCHEMBL19976943 | 0.77 | KMT2A (0.48) | KMT2AMEN1ALDH1A1POLBGAA | |
| SCHEMBL19977032 | 0.76 | MAPT (0.55) | KMT2AMEN1ALDH1A1POLBGAA | |
| SCHEMBL19976916 | 0.76 | KMT2A (0.51) | KMT2AMEN1ALDH1A1MAPTHPGD | |
| SCHEMBL19976994 | 0.75 | PGR (0.57) | KMT2AMEN1ALDH1A1POLBGAA | |
| SCHEMBL19976899 | 0.75 | KMT2A (0.49) | KMT2AMEN1ALDH1A1POLBGAA |
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-9919998-B2 | Antibacterial agents: Nα-aroyl-N-aryl-phenylalaninamides | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2018-03-20 | — | — | US | disclosed |