Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 1/20 | 0.49 |
| ▸ | HTR6 | P50406 | 1/20 | 0.49 |
| ▸ | BACE1 | P56817 | 3/20 | 0.43 |
| ▸ | CHEK1 | O14757 | 5/20 | 0.43 |
| ▸ | GOT1 | P17174 | 2/20 | 0.42 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | DHPS | P49366 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | CASP7 | P55210 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL19977064 | 0.88 | BACE1 (0.44) | ADRB1HTR6BACE1CHEK1GOT1 | |
| SCHEMBL16993956 | 0.85 | ADRB1 (0.45) | ADRB1HTR6BACE1CHEK1GOT1 | |
| SCHEMBL16999369 | 0.85 | ADRB1 (0.45) | ADRB1HTR6BACE1CHEK1GOT1 | |
| SCHEMBL19976964 | 0.83 | L3MBTL1 (0.58) | ADRB1CHEK1KCNQ2LMNAPOLB | |
| SCHEMBL19977129 | 0.82 | ALDH1A1 (0.57) | CHEK1KCNQ2LMNAPOLBSMN1; SMN2 | |
| SCHEMBL19977084 | 0.81 | DHPS (0.46) | LMNAHPGDDHPSMAPK1HSD17B10 | |
| SCHEMBL19977049 | 0.80 | ALDH1A1 (0.55) | CHEK1KCNQ2LMNAPOLBHPGD | |
| SCHEMBL19976905 | 0.78 | KMT2A (0.56) | POLBDHPS | |
| SCHEMBL19977090 | 0.76 | DHPS (0.46) | LMNAPOLBSMN1; SMN2DHPSMAPK1 | |
| SCHEMBL16999555 | 0.76 | BACE1 (0.46) | ADRB1HTR6BACE1 |
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 |