Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.66 |
| ▸ | HTT | P42858 | 2/20 | 0.66 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.66 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.66 |
| ▸ | MAPT | P10636 | 4/20 | 0.57 |
| ▸ | LMNA | P02545 | 4/20 | 0.57 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.57 |
| ▸ | TSHR | P16473 | 2/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.55 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
| ▸ | CRHBP | P24387 | 1/20 | 0.52 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL19977040 | 0.90 | MAPT (0.71) | ALDH1A1HTTALOX12KDM4EMAPT | |
| SCHEMBL19977054 | 0.88 | MAPT (0.57) | ALDH1A1HTTALOX12KDM4EMAPT | |
| SCHEMBL19977007 | 0.87 | KMT2A (0.58) | ALDH1A1HTTALOX12KDM4EMAPT | |
| SCHEMBL19977055 | 0.84 | POLB (0.61) | ALDH1A1LMNATSHRKMT2AEPHX2 | |
| SCHEMBL16993870 | 0.82 | ALDH1A1 (0.60) | ALDH1A1HTTALOX12KDM4EMAPT | |
| SCHEMBL19976959 | 0.81 | LMNA (0.59) | ALDH1A1HTTKDM4EMAPTLMNA | |
| SCHEMBL19976960 | 0.80 | LMNA (0.58) | ALDH1A1HTTKDM4EMAPTLMNA | |
| SCHEMBL16999323 | 0.80 | ALDH1A1 (0.54) | ALDH1A1HTTALOX12KDM4EMAPT | |
| SCHEMBL18261194 | 0.80 | ALDH1A1 (0.54) | ALDH1A1HTTALOX12KDM4EMAPT | |
| SCHEMBL18711850 | 0.78 | ALDH1A1 (0.70) | ALDH1A1HTTMAPTLMNANPSR1 |
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 |