Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | POLB | P06746 | 2/20 | 0.57 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.56 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.56 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.52 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL19977138 | 0.91 | HPGD (0.48) | ALDH1A1POLBKCNK3KCNK9TAS1R3 | |
| SCHEMBL19977070 | 0.89 | KCNK3 (0.48) | ALDH1A1POLBKCNK3KCNK9TAS1R3 | |
| SCHEMBL19976957 | 0.83 | PGR (0.44) | ALDH1A1POLBKCNK3KCNK9L3MBTL1 | |
| SCHEMBL19976922 | 0.82 | HPGD (0.66) | ALDH1A1POLBMAPTLMNASMN1; SMN2 | |
| SCHEMBL528445 | 0.81 | KCNK3 (0.77) | ALDH1A1POLBKCNK3KCNK9L3MBTL1 | |
| SCHEMBL16999775 | 0.81 | CTSL (0.60) | L3MBTL1 | |
| SCHEMBL19977124 | 0.81 | SMN1; SMN2 (0.62) | ALDH1A1MAPTLMNASMN1; SMN2RAB9A | |
| SCHEMBL13255717 | 0.80 | L3MBTL1 (0.58) | ALDH1A1POLBTAS1R3TAS1R1L3MBTL1 | |
| SCHEMBL13469120 | 0.80 | L3MBTL1 (0.70) | ALDH1A1POLBTAS1R3TAS1R1L3MBTL1 | |
| SCHEMBL19976972 | 0.79 | GAA (0.59) | ALDH1A1POLBL3MBTL1MAPTLMNA |
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 |