Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | TSHR | P16473 | 3/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | HPGD | P15428 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | BACE1 | P56817 | 5/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | WDR5 | P61964 | 1/20 | 0.41 |
| ▸ | BRPF1 | P55201 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL19977012 | 0.88 | ALDH1A1 (0.46) | ALDH1A1TSHRNPSR1MAPTHPGD | |
| SCHEMBL19976996 | 0.88 | LMNA (0.53) | ALDH1A1TSHRNPSR1MAPTHPGD | |
| SCHEMBL19977130 | 0.87 | L3MBTL1 (0.44) | ALDH1A1MAPTSMN1; SMN2BACE1LMNA | |
| SCHEMBL19977049 | 0.87 | ALDH1A1 (0.55) | ALDH1A1TSHRNPSR1MAPTHPGD | |
| SCHEMBL19977110 | 0.86 | BACE1 (0.48) | ALDH1A1NPSR1MAPTHPGDUSP2 | |
| SCHEMBL19976936 | 0.84 | SRPK1 (0.48) | ALDH1A1TSHRNPSR1MAPTSMN1; SMN2 | |
| SCHEMBL16993962 | 0.84 | USP30 (0.45) | BACE1KMT2A | |
| SCHEMBL16994049 | 0.82 | CTSL (0.48) | ALDH1A1TSHRNPSR1MAPTHPGD | |
| SCHEMBL23594204 | 0.81 | SMN1; SMN2 (0.45) | ALDH1A1TSHRNPSR1MAPTHPGD | |
| SCHEMBL19977064 | 0.81 | BACE1 (0.44) | BACE1BRPF1 |
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 |